data_publication_text
_publ_requested_journal          'Beilstein J.Org.Chem.'
_publ_contact_author_name        'William H. Hersh'
_publ_contact_author_address     
;Department of Chemistry and Biochemistry
Queens College
Queens, NY 11367-1597
;
_publ_contact_author_email       william.hersh@qc.cuny.edu
_publ_contact_author_phone       718-997-4144
_publ_contact_author_fax         718-997-5531
loop_
_publ_author_name
_publ_author_address
'William H. Hersh'
;Department of Chemistry and Biochemistry
Queens College
Queens, NY 11367-1597
;

 
data_WH744_1_p48_0ma
_publ_contact_author_name        'William H. Hersh'
_publ_contact_author_address     
;Department of Chemistry and Biochemistry
Queens College
Queens, NY 11367-1597
;
_publ_contact_author_email       william.hersh@qc.cuny.edu
_publ_contact_author_phone       718-997-4144
_publ_contact_author_fax         718-997-5531
loop_
_publ_author_name
_publ_author_address
'William H. Hersh'
;Department of Chemistry and Biochemistry
Queens College
Queens, NY 11367-1597
;

_audit_creation_method           SHELXL-2014

_chemical_name_systematic        
;
 (bis(diisopropylamino)phosphanyl)(phenyl)methanone
;
_chemical_name_common            Benzoylphosphonodiamidite
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H33 N2 O P'
_chemical_formula_sum            'C19 H33 N2 O P'
_chemical_formula_weight         336.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.8768(8)
_cell_length_b                   9.2589(5)
_cell_length_c                   14.0614(7)
_cell_angle_alpha                90
_cell_angle_beta                 108.8770(10)
_cell_angle_gamma                90
_cell_volume                     1955.87(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9998
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      27.09

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_F_000             736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.406
_exptl_crystal_size_mid          0.374
_exptl_crystal_size_min          0.312
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_process_details   'SADABS V 2008/1 (Bruker AXS)'

_exptl_special_details           
;
 A crystal was cleaved from a yellow spar and 
 mounted on a 200 micron MiTeGen MicroMount in Paratone-N oil, and 
 then cooled with an Oxford Cryosystems series 700 low-temperature 
 device. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Breeze CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.33
_diffrn_reflns_number            21786
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.584
_diffrn_reflns_theta_max         27.101
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4311
_reflns_number_gt                3921
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Farrugia ORTEP-3/v2.02'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. Hydrogen atom positions  
 were calculated and isotropic thermal parameters were fixed.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0400P)²+0.7900P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4311
_refine_ls_number_parameters     249
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0821
_refine_ls_wR_factor_gt          0.0795
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
P1 P 0.26547(2) 0.79918(3) 0.30761(2) 0.01327(8) Uani 1 1 d . . . . .
O1 O 0.27903(5) 0.63332(9) 0.15460(6) 0.02083(17) Uani 1 1 d . . . . .
N1 N 0.25475(6) 0.97710(10) 0.28056(7) 0.01574(18) Uani 1 1 d . . . . .
N2 N 0.16726(6) 0.71262(10) 0.27212(7) 0.01478(18) Uani 1 1 d . . . . .
C1 C 0.31241(7) 0.73590(11) 0.20809(8) 0.0153(2) Uani 1 1 d . . . . .
C8 C 0.23269(7) 1.04246(12) 0.17917(8) 0.0168(2) Uani 1 1 d . . . . .
H8 H 0.2296 0.9620 0.1307 0.010(3) Uiso 1 1 calc R . . . .
C2 C 0.39513(7) 0.80396(11) 0.19981(8) 0.0165(2) Uani 1 1 d . . . . .
C3 C 0.40643(8) 0.80610(12) 0.10540(9) 0.0194(2) Uani 1 1 d . . . . .
H3 H 0.3633 0.7621 0.0496 0.022(3) Uiso 1 1 calc R . . . .
C11 C 0.14772(7) 0.60614(11) 0.34056(8) 0.0167(2) Uani 1 1 d . . . . .
H11 H 0.0907 0.5578 0.3015 0.013(3) Uiso 1 1 calc R . . . .
C7 C 0.45989(7) 0.86497(12) 0.28206(8) 0.0189(2) Uani 1 1 d . . . . .
H7 H 0.4529 0.8624 0.3466 0.024(3) Uiso 1 1 calc R . . . .
C17 C 0.01405(8) 0.80233(13) 0.18803(9) 0.0234(2) Uani 1 1 d . . . . .
H17A H -0.0136 0.7345 0.2225 0.029(4) Uiso 1 1 calc R . . . .
H17B H -0.0284 0.8265 0.1221 0.034(4) Uiso 1 1 calc R . . . .
H17C H 0.0312 0.8905 0.2283 0.028(4) Uiso 1 1 calc R . . . .
C12 C 0.14193(8) 1.11801(13) 0.14549(9) 0.0228(2) Uani 1 1 d . . . . .
H12A H 0.0956 1.0491 0.1473 0.029(4) Uiso 1 1 calc R . . . .
H12B H 0.1293 1.1544 0.0768 0.032(4) Uiso 1 1 calc R . . . .
H12C H 0.1428 1.1988 0.1908 0.027(4) Uiso 1 1 calc R . . . .
C16 C 0.07179(8) 0.59446(13) 0.11189(8) 0.0224(2) Uani 1 1 d . . . . .
H16A H 0.1255 0.5503 0.1047 0.029(4) Uiso 1 1 calc R . . . .
H16B H 0.0302 0.6179 0.0452 0.035(4) Uiso 1 1 calc R . . . .
H16C H 0.0435 0.5266 0.1457 0.030(4) Uiso 1 1 calc R . . . .
C4 C 0.48058(8) 0.87244(13) 0.09307(9) 0.0233(2) Uani 1 1 d . . . . .
H4 H 0.4878 0.8753 0.0286 0.028(4) Uiso 1 1 calc R . . . .
C9 C 0.26688(8) 1.08069(12) 0.36483(8) 0.0190(2) Uani 1 1 d . . . . .
H9 H 0.2533 1.1790 0.3342 0.019(3) Uiso 1 1 calc R . . . .
C19 C 0.13199(8) 0.67477(13) 0.43201(8) 0.0220(2) Uani 1 1 d . . . . .
H19A H 0.1879 0.7157 0.4761 0.025(4) Uiso 1 1 calc R . . . .
H19B H 0.1106 0.6011 0.4687 0.027(4) Uiso 1 1 calc R . . . .
H19C H 0.0874 0.7515 0.4099 0.027(4) Uiso 1 1 calc R . . . .
C5 C 0.54425(8) 0.93461(13) 0.17496(9) 0.0240(2) Uani 1 1 d . . . . .
H5 H 0.5946 0.9809 0.1662 0.026(4) Uiso 1 1 calc R . . . .
C10 C 0.09698(7) 0.73273(12) 0.17439(8) 0.0167(2) Uani 1 1 d . . . . .
H10 H 0.1207 0.8021 0.1348 0.011(3) Uiso 1 1 calc R . . . .
C6 C 0.53468(7) 0.92954(13) 0.26958(9) 0.0222(2) Uani 1 1 d . . . . .
H6 H 0.5792 0.9701 0.3257 0.025(4) Uiso 1 1 calc R . . . .
C13 C 0.30452(8) 1.14781(13) 0.17094(9) 0.0219(2) Uani 1 1 d . . . . .
H13A H 0.3046 1.2338 0.2116 0.030(4) Uiso 1 1 calc R . . . .
H13B H 0.2920 1.1761 0.1006 0.029(4) Uiso 1 1 calc R . . . .
H13C H 0.3629 1.1008 0.1954 0.025(4) Uiso 1 1 calc R . . . .
C18 C 0.21810(8) 0.48751(13) 0.37156(10) 0.0256(3) Uani 1 1 d . . . . .
H18A H 0.2268 0.4455 0.3114 0.033(4) Uiso 1 1 calc R . . . .
H18B H 0.1983 0.4121 0.4085 0.032(4) Uiso 1 1 calc R . . . .
H18C H 0.2744 0.5287 0.4147 0.033(4) Uiso 1 1 calc R . . . .
C14 C 0.20184(8) 1.05370(13) 0.42256(9) 0.0239(2) Uani 1 1 d . . . . .
H14A H 0.1411 1.0482 0.3752 0.032(4) Uiso 1 1 calc R . . . .
H14B H 0.2058 1.1330 0.4699 0.034(4) Uiso 1 1 calc R . . . .
H14C H 0.2169 0.9625 0.4596 0.031(4) Uiso 1 1 calc R . . . .
C15 C 0.36276(8) 1.08478(14) 0.43589(9) 0.0267(3) Uani 1 1 d . . . . .
H15A H 0.3785 0.9905 0.4684 0.033(4) Uiso 1 1 calc R . . . .
H15B H 0.3684 1.1591 0.4872 0.040(4) Uiso 1 1 calc R . . . .
H15C H 0.4029 1.1074 0.3976 0.033(4) Uiso 1 1 calc R . . . .


_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
P1 N2 1.6791(9) . ?
P1 N1 1.6868(9) . ?
P1 C1 1.8794(11) . ?
O1 C1 1.2210(13) . ?
N1 C8 1.4827(13) . ?
N1 C9 1.4878(13) . ?
N2 C10 1.4752(13) . ?
N2 C11 1.4789(13) . ?
C1 C2 1.4948(14) . ?
C8 C12 1.5325(15) . ?
C8 C13 1.5331(15) . ?
C8 H8 1.0000 . ?
C2 C7 1.3944(15) . ?
C2 C3 1.3960(15) . ?
C3 C4 1.3876(16) . ?
C3 H3 0.9500 . ?
C11 C19 1.5256(15) . ?
C11 C18 1.5264(16) . ?
C11 H11 1.0000 . ?
C7 C6 1.3904(16) . ?
C7 H7 0.9500 . ?
C17 C10 1.5326(15) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C16 C10 1.5310(15) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C4 C5 1.3878(18) . ?
C4 H4 0.9500 . ?
C9 C14 1.5265(16) . ?
C9 C15 1.5273(16) . ?
C9 H9 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C5 C6 1.3879(17) . ?
C5 H5 0.9500 . ?
C10 H10 1.0000 . ?
C6 H6 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?

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
N2 P1 N1 112.51(5) . . ?
N2 P1 C1 100.59(5) . . ?
N1 P1 C1 99.90(5) . . ?
C8 N1 C9 115.60(8) . . ?
C8 N1 P1 126.20(7) . . ?
C9 N1 P1 118.19(7) . . ?
C10 N2 C11 115.83(8) . . ?
C10 N2 P1 124.50(7) . . ?
C11 N2 P1 119.66(7) . . ?
O1 C1 C2 119.82(9) . . ?
O1 C1 P1 120.23(8) . . ?
C2 C1 P1 119.78(8) . . ?
N1 C8 C12 112.91(9) . . ?
N1 C8 C13 112.47(9) . . ?
C12 C8 C13 109.53(9) . . ?
N1 C8 H8 107.2 . . ?
C12 C8 H8 107.2 . . ?
C13 C8 H8 107.2 . . ?
C7 C2 C3 119.73(10) . . ?
C7 C2 C1 122.47(10) . . ?
C3 C2 C1 117.81(10) . . ?
C4 C3 C2 120.02(11) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
N2 C11 C19 113.38(9) . . ?
N2 C11 C18 112.17(9) . . ?
C19 C11 C18 111.31(9) . . ?
N2 C11 H11 106.5 . . ?
C19 C11 H11 106.5 . . ?
C18 C11 H11 106.5 . . ?
C6 C7 C2 120.01(11) . . ?
C6 C7 H7 120.0 . . ?
C2 C7 H7 120.0 . . ?
C10 C17 H17A 109.5 . . ?
C10 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C10 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C16 H16A 109.5 . . ?
C10 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C10 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C3 C4 C5 119.98(11) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C9 C14 112.49(9) . . ?
N1 C9 C15 112.44(9) . . ?
C14 C9 C15 111.02(10) . . ?
N1 C9 H9 106.8 . . ?
C14 C9 H9 106.8 . . ?
C15 C9 H9 106.8 . . ?
C11 C19 H19A 109.5 . . ?
C11 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C11 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C4 C5 C6 120.33(11) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
N2 C10 C16 114.05(9) . . ?
N2 C10 C17 110.97(9) . . ?
C16 C10 C17 110.37(9) . . ?
N2 C10 H10 107.0 . . ?
C16 C10 H10 107.0 . . ?
C17 C10 H10 107.0 . . ?
C5 C6 C7 119.89(11) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C8 C13 H13A 109.5 . . ?
C8 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C8 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C18 H18A 109.5 . . ?
C11 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C11 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

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
N2 P1 N1 C8 -72.45(10) . . . . ?
C1 P1 N1 C8 33.47(10) . . . . ?
N2 P1 N1 C9 106.56(8) . . . . ?
C1 P1 N1 C9 -147.52(8) . . . . ?
N1 P1 N2 C10 44.72(10) . . . . ?
C1 P1 N2 C10 -60.76(9) . . . . ?
N1 P1 N2 C11 -136.38(8) . . . . ?
C1 P1 N2 C11 118.15(8) . . . . ?
N2 P1 C1 O1 -14.23(10) . . . . ?
N1 P1 C1 O1 -129.57(9) . . . . ?
N2 P1 C1 C2 170.57(8) . . . . ?
N1 P1 C1 C2 55.23(9) . . . . ?
C9 N1 C8 C12 -65.09(12) . . . . ?
P1 N1 C8 C12 113.94(10) . . . . ?
C9 N1 C8 C13 59.50(12) . . . . ?
P1 N1 C8 C13 -121.47(9) . . . . ?
O1 C1 C2 C7 -147.27(11) . . . . ?
P1 C1 C2 C7 27.95(14) . . . . ?
O1 C1 C2 C3 33.09(15) . . . . ?
P1 C1 C2 C3 -151.69(8) . . . . ?
C7 C2 C3 C4 -1.88(16) . . . . ?
C1 C2 C3 C4 177.77(10) . . . . ?
C10 N2 C11 C19 -109.73(10) . . . . ?
P1 N2 C11 C19 71.27(11) . . . . ?
C10 N2 C11 C18 123.14(10) . . . . ?
P1 N2 C11 C18 -55.85(11) . . . . ?
C3 C2 C7 C6 0.98(16) . . . . ?
C1 C2 C7 C6 -178.66(10) . . . . ?
C2 C3 C4 C5 1.06(17) . . . . ?
C8 N1 C9 C14 120.50(10) . . . . ?
P1 N1 C9 C14 -58.61(11) . . . . ?
C8 N1 C9 C15 -113.26(11) . . . . ?
P1 N1 C9 C15 67.62(11) . . . . ?
C3 C4 C5 C6 0.67(18) . . . . ?
C11 N2 C10 C16 -58.27(12) . . . . ?
P1 N2 C10 C16 120.67(9) . . . . ?
C11 N2 C10 C17 67.13(12) . . . . ?
P1 N2 C10 C17 -113.93(9) . . . . ?
C4 C5 C6 C7 -1.57(18) . . . . ?
C2 C7 C6 C5 0.73(17) . . . . ?

_refine_diff_density_max         0.412
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.041

_shelxl_version_number           2014-3










