data_201709188
_audit_creation_date              2017-10-10
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number      '2014/7'
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          'C19 H12 F6 N2 O2'
_chemical_formula_sum             'C19 H12 F6 N2 O2'
_chemical_formula_weight          414.31
_chemical_melting_point           ?
_chemical_oxdiff_formula          C38H41N2O2F6
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'orthorhombic'
_space_group_IT_number            61
_space_group_name_H-M_alt         'P b c a'
_space_group_name_Hall            '-P 2ac 2ab'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 '-x-1/2, y-1/2, z'
 'x, -y-1/2, z-1/2'

_cell_length_a                    7.3762(3)
_cell_length_b                    17.5081(5)
_cell_length_c                    28.0730(11)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      3625.4(2)
_cell_formula_units_Z             8
_cell_measurement_reflns_used     2262
_cell_measurement_temperature     293(2)
_cell_measurement_theta_max       67.6590
_cell_measurement_theta_min       4.7570
_shelx_estimated_absorpt_T_max    0.855
_shelx_estimated_absorpt_T_min    0.806
_exptl_absorpt_coefficient_mu     1.249
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.72872
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41k (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             colourless
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.518
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        prism
_exptl_crystal_F_000              1680
_exptl_crystal_size_max           0.18
_exptl_crystal_size_mid           0.16
_exptl_crystal_size_min           0.13
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0291
_diffrn_reflns_av_unetI/netI      0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max        6
_diffrn_reflns_limit_h_min        -8
_diffrn_reflns_limit_k_max        20
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_l_max        33
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_number             8287
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full         67.080
_diffrn_reflns_theta_max          67.080
_diffrn_reflns_theta_min          5.052
_diffrn_ambient_temperature       293(2)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  16.2312
_diffrn_detector_type             Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -97.00 -50.00   0.50    2.25    --  -33.50 -57.00-180.00   94
  2  ω    -42.00 -11.00   0.50    2.25    --  -33.50 -77.00  60.00   62
  3  ω   -101.00 -55.00   0.50    2.25    --  -33.50 -77.00  60.00   92
  4  ω     68.00 101.00   0.50    2.25    --   36.47  37.00  60.00   66
  5  ω      6.00  38.00   0.50    2.25    --   36.47 -99.00 -30.00   64
  6  ω     41.00  77.00   0.50    2.25    --   36.47 -99.00 -30.00   72
  7  ω     81.00 106.00   0.50    2.25    --   36.47  77.00 120.00   50
  8  ω     12.00  39.00   0.50    2.25    --   36.47  77.00 120.00   54
  9  ω     84.00 109.00   0.50    2.25    --   36.47 178.00-150.00   50
 10  ω     15.00  45.00   0.50    2.25    --   36.47  37.00  60.00   60
 11  ω     47.00  89.00   0.50   15.00    --  108.00 -30.00-120.00   84
 12  ω     83.00 109.00   0.50   15.00    --  108.00 -94.00  30.00   52
 13  ω     45.00  90.00   0.50   15.00    --  108.00 -45.00   0.00   90
 14  ω     64.00  97.00   0.50   15.00    --  108.00 -45.00  30.00   66
 15  ω     41.00 102.00   0.50   15.00    --  108.00 -94.00   0.00  122
 16  ω     39.00 129.00   0.50   15.00    --  108.00 -15.00 -30.00  180
;
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'Xcalibur, Eos, Gemini'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11       -0.1806465000
_diffrn_orient_matrix_UB_12       -0.0059999000
_diffrn_orient_matrix_UB_13       0.0272571000
_diffrn_orient_matrix_UB_21       0.1010667000
_diffrn_orient_matrix_UB_22       0.0128348000
_diffrn_orient_matrix_UB_23       0.0473581000
_diffrn_orient_matrix_UB_31       -0.0275444000
_diffrn_orient_matrix_UB_32       0.0868593000
_diffrn_orient_matrix_UB_33       -0.0050656000
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54184
_diffrn_source                    'fine-focus sealed X-ray tube'
_diffrn_source_type               'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 2224
_reflns_number_total              3240
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      66.97
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_data_collection        'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_data_reduction         'CrysAlisPro 1.171.38.41k (Rigaku OD, 2015)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2015)'
_computing_structure_solution     'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max          0.269
_refine_diff_density_min          -0.216
_refine_diff_density_rms          0.035
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.027
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      262
_refine_ls_number_reflns          3240
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0715
_refine_ls_R_factor_gt            0.0489
_refine_ls_restrained_S_all       1.027
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0637P)²+0.5626P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1281
_refine_ls_wR_factor_ref          0.1414
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Ternary CH refined with riding coordinates:
 C17(H17)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C14(H14), C15(H15),
 C16(H16), N1(H1)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 C1 C 0.5725(3) 0.38728(12) 0.61134(9) 0.0497(5) Uani 1 1 d . . . . .
 C2 C 0.4507(3) 0.39743(13) 0.65387(9) 0.0496(5) Uani 1 1 d . . . . .
 C3 C 0.3964(4) 0.33468(15) 0.68005(10) 0.0662(7) Uani 1 1 d . . . . .
 H3 H 0.4354 0.2859 0.6720 0.079 Uiso 1 1 calc R . . . .
 C4 C 0.2826(4) 0.34603(19) 0.71855(11) 0.0766(9) Uani 1 1 d . . . . .
 H4 H 0.2425 0.3048 0.7366 0.092 Uiso 1 1 calc R . . . .
 C5 C 0.2300(4) 0.4186(2) 0.72978(12) 0.0768(8) Uani 1 1 d . . . . .
 H5 H 0.1560 0.4279 0.7560 0.092 Uiso 1 1 calc R . . . .
 C6 C 0.2890(5) 0.47759(18) 0.70146(11) 0.0733(8) Uani 1 1 d . . . . .
 H6 H 0.2510 0.5268 0.7089 0.088 Uiso 1 1 calc R . . . .
 C7 C 0.6853(3) 0.46339(12) 0.54245(8) 0.0434(5) Uani 1 1 d . . . . .
 C8 C 0.7182(4) 0.40168(13) 0.51352(9) 0.0527(6) Uani 1 1 d . . . . .
 H8 H 0.6963 0.3527 0.5250 0.063 Uiso 1 1 calc R . . . .
 C9 C 0.7836(4) 0.41074(14) 0.46730(9) 0.0578(6) Uani 1 1 d . . . . .
 H9 H 0.8052 0.3680 0.4485 0.069 Uiso 1 1 calc R . . . .
 C10 C 0.8160(4) 0.48152(14) 0.44956(9) 0.0538(6) Uani 1 1 d . . . . .
 H10 H 0.8583 0.4870 0.4185 0.065 Uiso 1 1 calc R . . . .
 C11 C 0.7860(3) 0.54690(13) 0.47784(8) 0.0475(5) Uani 1 1 d . . . . .
 C12 C 0.7233(3) 0.53949(12) 0.52565(8) 0.0415(5) Uani 1 1 d . . . . .
 C13 C 0.7033(3) 0.60918(12) 0.55159(8) 0.0470(5) Uani 1 1 d . . . . .
 C14 C 0.7307(4) 0.67885(13) 0.53141(9) 0.0587(7) Uani 1 1 d . . . . .
 H14 H 0.7100 0.7229 0.5491 0.070 Uiso 1 1 calc R . . . .
 C15 C 0.7898(4) 0.68445(14) 0.48424(10) 0.0657(8) Uani 1 1 d . . . . .
 H15 H 0.8095 0.7322 0.4707 0.079 Uiso 1 1 calc R . . . .
 C16 C 0.8184(4) 0.62026(14) 0.45814(9) 0.0586(6) Uani 1 1 d . . . . .
 H16 H 0.8598 0.6245 0.4270 0.070 Uiso 1 1 calc R . . . .
 C17 C 0.7043(4) 0.65821(13) 0.63201(8) 0.0545(6) Uani 1 1 d . . . . .
 H17 H 0.7785 0.6962 0.6153 0.065 Uiso 1 1 calc R . . . .
 C18 C 0.8201(5) 0.61932(18) 0.66941(12) 0.0777(9) Uani 1 1 d . . . . .
 C19 C 0.5371(5) 0.69762(17) 0.65189(11) 0.0760(9) Uani 1 1 d . . . . .
 F1 F 0.4295(4) 0.65196(14) 0.67465(10) 0.1316(10) Uani 1 1 d . . . . .
 F2 F 0.4446(4) 0.72957(15) 0.61736(9) 0.1279(9) Uani 1 1 d . . . . .
 F3 F 0.5824(4) 0.75202(13) 0.68186(9) 0.1251(9) Uani 1 1 d . . . . .
 F4 F 0.8738(4) 0.66596(13) 0.70292(8) 0.1190(9) Uani 1 1 d . . . . .
 F5 F 0.7397(5) 0.56263(13) 0.69039(9) 0.1381(12) Uani 1 1 d . . . . .
 F6 F 0.9673(5) 0.5927(2) 0.64944(11) 0.1706(15) Uani 1 1 d . . . . .
 N1 N 0.6046(3) 0.45264(10) 0.58768(7) 0.0470(5) Uani 1 1 d . . . . .
 H1 H 0.5714 0.4937 0.6021 0.056 Uiso 1 1 calc R . . . .
 N2 N 0.3975(3) 0.46824(12) 0.66395(8) 0.0589(6) Uani 1 1 d . . . . .
 O1 O 0.6299(3) 0.32374(10) 0.60078(7) 0.0757(6) Uani 1 1 d . . . . .
 O2 O 0.6487(3) 0.60260(8) 0.59924(6) 0.0577(5) Uani 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 C1 C2 1.505(3) . ?
 C1 N1 1.344(3) . ?
 C1 O1 1.227(3) . ?
 C2 C3 1.381(3) . ?
 C2 N2 1.331(3) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.383(4) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.365(4) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.374(4) . ?
 C6 H6 0.9300 . ?
 C6 N2 1.333(4) . ?
 C7 C8 1.373(3) . ?
 C7 C12 1.441(3) . ?
 C7 N1 1.415(3) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.394(4) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.357(3) . ?
 C10 H10 0.9300 . ?
 C10 C11 1.411(3) . ?
 C11 C12 1.426(3) . ?
 C11 C16 1.419(3) . ?
 C12 C13 1.428(3) . ?
 C13 C14 1.360(3) . ?
 C13 O2 1.402(3) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.397(4) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.358(4) . ?
 C16 H16 0.9300 . ?
 C17 H17 0.9800 . ?
 C17 C18 1.515(4) . ?
 C17 C19 1.519(4) . ?
 C17 O2 1.401(3) . ?
 C18 F4 1.307(4) . ?
 C18 F5 1.298(4) . ?
 C18 F6 1.308(5) . ?
 C19 F1 1.295(4) . ?
 C19 F2 1.311(4) . ?
 C19 F3 1.314(4) . ?
 N1 H1 0.8600 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 N1 C1 C2 113.37(19) . . ?
 O1 C1 C2 120.3(2) . . ?
 O1 C1 N1 126.3(2) . . ?
 C3 C2 C1 120.1(2) . . ?
 N2 C2 C1 117.1(2) . . ?
 N2 C2 C3 122.8(2) . . ?
 C2 C3 H3 120.7 . . ?
 C2 C3 C4 118.5(3) . . ?
 C4 C3 H3 120.7 . . ?
 C3 C4 H4 120.4 . . ?
 C5 C4 C3 119.1(3) . . ?
 C5 C4 H4 120.4 . . ?
 C4 C5 H5 120.8 . . ?
 C4 C5 C6 118.4(3) . . ?
 C6 C5 H5 120.8 . . ?
 C5 C6 H6 118.2 . . ?
 N2 C6 C5 123.7(3) . . ?
 N2 C6 H6 118.2 . . ?
 C8 C7 C12 120.0(2) . . ?
 C8 C7 N1 120.0(2) . . ?
 N1 C7 C12 119.90(19) . . ?
 C7 C8 H8 119.3 . . ?
 C7 C8 C9 121.5(2) . . ?
 C9 C8 H8 119.3 . . ?
 C8 C9 H9 119.8 . . ?
 C10 C9 C8 120.4(2) . . ?
 C10 C9 H9 119.8 . . ?
 C9 C10 H10 119.8 . . ?
 C9 C10 C11 120.5(2) . . ?
 C11 C10 H10 119.8 . . ?
 C10 C11 C12 120.5(2) . . ?
 C10 C11 C16 119.3(2) . . ?
 C16 C11 C12 120.3(2) . . ?
 C11 C12 C7 117.1(2) . . ?
 C11 C12 C13 115.8(2) . . ?
 C13 C12 C7 127.1(2) . . ?
 C14 C13 C12 122.6(2) . . ?
 C14 C13 O2 120.9(2) . . ?
 O2 C13 C12 116.48(19) . . ?
 C13 C14 H14 119.9 . . ?
 C13 C14 C15 120.3(2) . . ?
 C15 C14 H14 119.9 . . ?
 C14 C15 H15 119.9 . . ?
 C16 C15 C14 120.1(2) . . ?
 C16 C15 H15 119.9 . . ?
 C11 C16 H16 119.6 . . ?
 C15 C16 C11 120.8(2) . . ?
 C15 C16 H16 119.6 . . ?
 C18 C17 H17 108.7 . . ?
 C18 C17 C19 114.0(3) . . ?
 C19 C17 H17 108.7 . . ?
 O2 C17 H17 108.7 . . ?
 O2 C17 C18 107.9(2) . . ?
 O2 C17 C19 108.6(2) . . ?
 F4 C18 C17 112.9(3) . . ?
 F4 C18 F6 106.2(4) . . ?
 F5 C18 C17 113.6(3) . . ?
 F5 C18 F4 106.9(3) . . ?
 F5 C18 F6 107.6(3) . . ?
 F6 C18 C17 109.3(3) . . ?
 F1 C19 C17 113.5(2) . . ?
 F1 C19 F2 108.0(3) . . ?
 F1 C19 F3 106.7(3) . . ?
 F2 C19 C17 110.2(3) . . ?
 F2 C19 F3 107.2(3) . . ?
 F3 C19 C17 111.0(3) . . ?
 C1 N1 C7 129.10(19) . . ?
 C1 N1 H1 115.4 . . ?
 C7 N1 H1 115.4 . . ?
 C2 N2 C6 117.4(2) . . ?
 C17 O2 C13 119.05(18) . . ?

loop_
  _geom_hbond_atom_site_label_D
  _geom_hbond_atom_site_label_H
  _geom_hbond_atom_site_label_A
  _geom_hbond_distance_DH
  _geom_hbond_distance_HA
  _geom_hbond_distance_DA
  _geom_hbond_angle_DHA
  _geom_hbond_site_symmetry_A
 C8 H8 O1 0.93 2.24 2.879(3) 125.2 .
 N1 H1 O2 0.86 1.99 2.665(2) 134.4 .

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 C1 C2 C3 C4 -179.2(3) . . . . ?
 C1 C2 N2 C6 179.7(3) . . . . ?
 C2 C1 N1 C7 -168.2(2) . . . . ?
 C2 C3 C4 C5 -0.9(5) . . . . ?
 C3 C2 N2 C6 0.9(4) . . . . ?
 C3 C4 C5 C6 1.6(5) . . . . ?
 C4 C5 C6 N2 -1.2(5) . . . . ?
 C5 C6 N2 C2 -0.1(5) . . . . ?
 C7 C8 C9 C10 -0.3(4) . . . . ?
 C7 C12 C13 C14 -175.2(3) . . . . ?
 C7 C12 C13 O2 3.1(4) . . . . ?
 C8 C7 C12 C11 3.1(3) . . . . ?
 C8 C7 C12 C13 -177.5(2) . . . . ?
 C8 C7 N1 C1 9.8(4) . . . . ?
 C8 C9 C10 C11 0.8(4) . . . . ?
 C9 C10 C11 C12 0.8(4) . . . . ?
 C9 C10 C11 C16 -179.1(3) . . . . ?
 C10 C11 C12 C7 -2.6(3) . . . . ?
 C10 C11 C12 C13 177.9(2) . . . . ?
 C10 C11 C16 C15 179.5(3) . . . . ?
 C11 C12 C13 C14 4.1(3) . . . . ?
 C11 C12 C13 O2 -177.5(2) . . . . ?
 C12 C7 C8 C9 -1.7(4) . . . . ?
 C12 C7 N1 C1 -173.8(2) . . . . ?
 C12 C11 C16 C15 -0.3(4) . . . . ?
 C12 C13 C14 C15 -3.5(4) . . . . ?
 C12 C13 O2 C17 150.6(2) . . . . ?
 C13 C14 C15 C16 0.7(5) . . . . ?
 C14 C13 O2 C17 -31.0(4) . . . . ?
 C14 C15 C16 C11 1.1(5) . . . . ?
 C16 C11 C12 C7 177.2(2) . . . . ?
 C16 C11 C12 C13 -2.2(3) . . . . ?
 C18 C17 C19 F1 -58.7(4) . . . . ?
 C18 C17 C19 F2 -179.9(3) . . . . ?
 C18 C17 C19 F3 61.5(3) . . . . ?
 C18 C17 O2 C13 -117.7(3) . . . . ?
 C19 C17 C18 F4 -56.8(4) . . . . ?
 C19 C17 C18 F5 65.0(4) . . . . ?
 C19 C17 C18 F6 -174.8(3) . . . . ?
 C19 C17 O2 C13 118.2(2) . . . . ?
 N1 C1 C2 C3 176.0(2) . . . . ?
 N1 C1 C2 N2 -2.9(3) . . . . ?
 N1 C7 C8 C9 174.7(2) . . . . ?
 N1 C7 C12 C11 -173.3(2) . . . . ?
 N1 C7 C12 C13 6.1(4) . . . . ?
 N2 C2 C3 C4 -0.4(4) . . . . ?
 O1 C1 C2 C3 -2.9(4) . . . . ?
 O1 C1 C2 N2 178.2(3) . . . . ?
 O1 C1 N1 C7 10.6(4) . . . . ?
 O2 C13 C14 C15 178.3(3) . . . . ?
 O2 C17 C18 F4 -177.6(3) . . . . ?
 O2 C17 C18 F5 -55.8(4) . . . . ?
 O2 C17 C18 F6 64.4(4) . . . . ?
 O2 C17 C19 F1 61.7(3) . . . . ?
 O2 C17 C19 F2 -59.5(3) . . . . ?
 O2 C17 C19 F3 -178.1(2) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.308
_oxdiff_exptl_absorpt_empirical_full_min 0.824
