data_17_dax46
_audit_creation_date              2012-01-30
_audit_creation_method
;
  Olex2 1.1-beta
  (compiled 2011.11.01 svn.r2039, GUI svn.r3906)
;
_publ_requested_journal           'J.Org.Chem.'
_publ_section_title
;
Domino reactions of 2H-azirines with acylketenes from
furan-2,3-diones: competition between ortho-fused/bridged 
heterocyclic system formations
;


_publ_contact_author_address
;
Department of Chemistry
Durham University
South Rd.
Durham
DH1 3LE
UK
;
_publ_contact_author_email        d.s.yufit@durham.ac.uk
_publ_contact_author_name         'Dmitry Yufit'
_publ_contact_author_phone        ?

_publ_contact_letter
;
The CIF file contains data for the structure 17 from
the paper 

"Domino reactions of 2H-azirines with acylketenes from
furan-2,3-diones: competition between ortho-fused/bridged 
heterocyclic system formations"

by  A.F.Khlebnikov, M.S.Novikov, V.V. Pakalnis, R.O.Iakovenko 
and D.S.Yufit. 

The paper will be submitted to J.Org.Chem. 
;
loop_
_publ_author_name
_publ_author_address
'Khlebnikov, Alexander F.'
;
Department of Chemistry
Saint-Petersburg State University
Universitetskii pr. 26
198504
St.Petersburg
Russia
;
'Novikov, Mikhail S.'
;
Department of Chemistry
Saint-Petersburg State University
Universitetskii pr. 26
198504
St.Petersburg
Russia
;
'Pakalnis, Viktoriia V.'
;
Department of Chemistry
Saint-Petersburg State University
Universitetskii pr. 26
198504
St.Petersburg
Russia
;
'Iakovenko, Roman O.'
;
Department of Chemistry
Saint-Petersburg State University
Universitetskii pr. 26
198504
St.Petersburg
Russia
;

'Yufit, Dmitry S.'
;
Department of Chemistry
Durham University
South Rd.
Durham
DH1 3LE
UK
;

_chemical_name_common             ?
_chemical_name_systematic
;
4,6,7-Triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one 
;
_chemical_formula_moiety          'C23 H17 N O2'
_chemical_formula_sum             'C23 H17 N O2'
_chemical_formula_weight          339.38
_chemical_melting_point           ?
_chemical_oxdiff_formula          'C23 H19 N1 O1'
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'

_space_group_crystal_system       'monoclinic'
_space_group_IT_number            15
_space_group_name_H-M_alt         'C 1 2/c 1'
_space_group_name_Hall            '-C 2yc'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x, y, -z+1/2'
 3 'x+1/2, y+1/2, z'
 4 '-x+1/2, y+1/2, -z+1/2'
 5 '-x, -y, -z'
 6 'x, -y, z-1/2'
 7 '-x+1/2, -y+1/2, -z'
 8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                    34.473(4)
_cell_length_b                    5.5047(4)
_cell_length_c                    17.7523(17)
_cell_angle_alpha                 90.00
_cell_angle_beta                  101.619(10)
_cell_angle_gamma                 90.00
_cell_volume                      3299.7(6)
_cell_formula_units_Z             8
_cell_measurement_reflns_used     502
_cell_measurement_temperature     120
_cell_measurement_theta_max       32.3487
_cell_measurement_theta_min       2.8374
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
  -1    0    1 0.0302 -1.0016  0.0001  0.9993 -0.0396  0.0098  0.0096
   1    0   -1 0.0302  1.0016 -0.0001 -0.9993  0.0396 -0.0098 -0.0096
   1   -1    0 0.0970  1.0005 -0.9995 -0.0009  0.0351 -0.0090  0.1253
  -1    1    0 0.0970 -1.0005  0.9995  0.0009 -0.0351  0.0090 -0.1253
   1    0    0 0.0100  0.9997 -0.0000  0.0003  0.0115  0.0175  0.0016
  -1    0    0 0.0100 -0.9997  0.0000 -0.0003 -0.0115 -0.0175 -0.0016
_exptl_absorpt_coefficient_mu     0.087
_exptl_absorpt_correction_T_max   0.999
_exptl_absorpt_correction_T_min   0.997
_exptl_absorpt_correction_type    analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour             'clear light colourless'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    light
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.366
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        plate
_exptl_crystal_F_000              1424
_exptl_crystal_size_max           0.2
_exptl_crystal_size_mid           0.0699
_exptl_crystal_size_min           0.0199
_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents   0.1241
_diffrn_reflns_av_unetI/netI      0.2128
_diffrn_reflns_limit_h_max        34
_diffrn_reflns_limit_h_min        -45
_diffrn_reflns_limit_k_max        6
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_number             10670
_diffrn_reflns_theta_full         28.00
_diffrn_reflns_theta_max          28.00
_diffrn_reflns_theta_min          2.8374
_diffrn_ambient_temperature       120
_diffrn_detector                  CCD
_diffrn_detector_area_resol_mean  16.1511
_diffrn_detector_type             Sapphire3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00   -6.00   0.5000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -26.1867  -57.0000   30.0000 176

#__ type_ start__ end____ width___ exp.time_
  2 omega -101.00  -75.00   0.5000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -26.1867 -179.0000  -60.0000 52

#__ type_ start__ end____ width___ exp.time_
  3 omega  -96.00   10.00   0.5000   40.0000
omega____ theta____ kappa____ phi______ frames
    -      -26.1867  -19.0000  -90.0000 212

#__ type_ start__ end____ width___ exp.time_
  4 omega   16.00   52.00   0.5000   40.0000
omega____ theta____ kappa____ phi______ frames
    -       26.8117  -77.0000  -60.0000 72
;
_diffrn_measurement_device        '3-circle diffractometer'
_diffrn_measurement_device_type   'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method        ω-scan
_diffrn_orient_matrix_UB_11       0.0115139000
_diffrn_orient_matrix_UB_12       -0.0235746000
_diffrn_orient_matrix_UB_13       -0.0281309000
_diffrn_orient_matrix_UB_21       0.0174949000
_diffrn_orient_matrix_UB_22       0.0264994000
_diffrn_orient_matrix_UB_23       0.0273381000
_diffrn_orient_matrix_UB_31       0.0015592000
_diffrn_orient_matrix_UB_32       -0.1238894000
_diffrn_orient_matrix_UB_33       0.0111811000
_diffrn_radiation_collimation     monochromator
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_wavelength      0.7107
_diffrn_radiation_xray_symbol     Mo
_diffrn_source                    'Enhance (Mo) X-ray Source'
_diffrn_source_current            n/a
_diffrn_source_type               'sealed tube'
_diffrn_source_voltage            n/a
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 1654
_reflns_number_total              3980
_reflns_odcompleteness_completeness 99.58
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      30.44
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max          0.290
_refine_diff_density_min          -0.322
_refine_diff_density_rms          0.072
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    0.902
_refine_ls_hydrogen_treatment     refall
_refine_ls_matrix_type            full
_refine_ls_number_parameters      303
_refine_ls_number_reflns          3980
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1890
_refine_ls_R_factor_gt            0.0737
_refine_ls_restrained_S_all       0.902
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0951
_refine_ls_wR_factor_ref          0.1376
_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. 
;
_atom_sites_solution_hydrogens    difmap
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
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_symmetry_multiplicity
  _atom_site_calc_flag
  _atom_site_refinement_flags
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 O1 O 0.38894(7) 0.5625(4) 0.41014(13) 0.0234(6) Uani 1 1 d . . .
 O2 O 0.44593(8) 1.1018(4) 0.31839(14) 0.0309(7) Uani 1 1 d . . .
 N1 N 0.38940(9) 0.8760(4) 0.30885(16) 0.0210(7) Uani 1 1 d . . .
 C1 C 0.42540(10) 0.6380(6) 0.4468(2) 0.0206(8) Uani 1 1 d . . .
 C2 C 0.44425(11) 0.8232(6) 0.4191(2) 0.0229(9) Uani 1 1 d . . .
 C3 C 0.42851(11) 0.9438(6) 0.3476(2) 0.0229(8) Uani 1 1 d . . .
 C4 C 0.36992(11) 0.6768(6) 0.34053(19) 0.0204(8) Uani 1 1 d . . .
 C5 C 0.38647(11) 0.6289(6) 0.2707(2) 0.0215(8) Uani 1 1 d . . .
 C6 C 0.36288(11) 0.6036(6) 0.19140(19) 0.0199(8) Uani 1 1 d . . .
 C7 C 0.33619(11) 0.7806(6) 0.1577(2) 0.0245(9) Uani 1 1 d . . .
 C8 C 0.31545(12) 0.7510(7) 0.0825(2) 0.0268(9) Uani 1 1 d . . .
 C9 C 0.32140(12) 0.5452(6) 0.0403(2) 0.0257(9) Uani 1 1 d . . .
 C10 C 0.34760(12) 0.3676(6) 0.0749(2) 0.0260(9) Uani 1 1 d . . .
 C11 C 0.36847(11) 0.3967(6) 0.1497(2) 0.0233(9) Uani 1 1 d . . .
 C12 C 0.32720(11) 0.7052(6) 0.34276(19) 0.0217(8) Uani 1 1 d . . .
 C13 C 0.30012(11) 0.5259(6) 0.3135(2) 0.0220(8) Uani 1 1 d . . .
 C14 C 0.26105(12) 0.5449(6) 0.3214(2) 0.0249(9) Uani 1 1 d . . .
 C15 C 0.24881(11) 0.7463(6) 0.3578(2) 0.0230(8) Uani 1 1 d . . .
 C16 C 0.27575(12) 0.9269(6) 0.3863(2) 0.0262(9) Uani 1 1 d . . .
 C17 C 0.31482(11) 0.9080(6) 0.3787(2) 0.0222(8) Uani 1 1 d . . .
 C18 C 0.43968(11) 0.5017(6) 0.5183(2) 0.0232(8) Uani 1 1 d . . .
 C19 C 0.42111(11) 0.2840(6) 0.5311(2) 0.0226(8) Uani 1 1 d . . .
 C20 C 0.43336(11) 0.1594(6) 0.5993(2) 0.0250(9) Uani 1 1 d . . .
 C21 C 0.46387(11) 0.2490(6) 0.6560(2) 0.0281(9) Uani 1 1 d . . .
 C22 C 0.48247(12) 0.4640(7) 0.6432(2) 0.0295(9) Uani 1 1 d . . .
 C23 C 0.47087(11) 0.5886(6) 0.5747(2) 0.0238(9) Uani 1 1 d . . .
 H2 H 0.4704(10) 0.863(5) 0.4451(18) 0.013(9) Uiso 1 1 d . . .
 H8 H 0.2968(11) 0.876(5) 0.056(2) 0.035(11) Uiso 1 1 d . . .
 H5 H 0.4101(10) 0.537(5) 0.2819(18) 0.020(9) Uiso 1 1 d . . .
 H7 H 0.3322(11) 0.939(5) 0.186(2) 0.036(11) Uiso 1 1 d . . .
 H9 H 0.3042(11) 0.511(6) -0.010(2) 0.043(12) Uiso 1 1 d . . .
 H10 H 0.3530(12) 0.211(6) 0.050(2) 0.056(13) Uiso 1 1 d . . .
 H11 H 0.3887(10) 0.276(5) 0.1757(19) 0.030(10) Uiso 1 1 d . . .
 H13 H 0.3110(9) 0.377(5) 0.2951(17) 0.012(8) Uiso 1 1 d . . .
 H14 H 0.2415(11) 0.429(5) 0.302(2) 0.034(11) Uiso 1 1 d . . .
 H15 H 0.2213(10) 0.755(5) 0.3632(18) 0.027(10) Uiso 1 1 d . . .
 H16 H 0.2679(10) 1.075(5) 0.4093(19) 0.029(10) Uiso 1 1 d . . .
 H17 H 0.3346(10) 1.032(5) 0.3969(18) 0.019(9) Uiso 1 1 d . . .
 H19 H 0.3992(11) 0.221(5) 0.490(2) 0.037(11) Uiso 1 1 d . . .
 H20 H 0.4210(9) 0.003(4) 0.6079(17) 0.011(8) Uiso 1 1 d . . .
 H21 H 0.4750(11) 0.149(5) 0.708(2) 0.048(12) Uiso 1 1 d . . .
 H22 H 0.5043(12) 0.536(6) 0.681(2) 0.044(12) Uiso 1 1 d . . .
 H23 H 0.4839(11) 0.751(5) 0.563(2) 0.037(11) Uiso 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
 O1 C1 1.359(4) . ?
 O1 C4 1.424(4) . ?
 O2 C3 1.230(4) . ?
 N1 C3 1.434(4) . ?
 N1 C4 1.457(4) . ?
 N1 C5 1.514(4) . ?
 C1 C2 1.354(5) . ?
 C1 C18 1.471(5) . ?
 C2 C3 1.438(5) . ?
 C2 H2 0.95(3) . ?
 C4 C5 1.489(5) . ?
 C4 C12 1.489(5) . ?
 C5 C6 1.483(5) . ?
 C5 H5 0.94(3) . ?
 C6 C7 1.390(5) . ?
 C6 C11 1.392(4) . ?
 C7 C8 1.390(5) . ?
 C7 H7 1.03(3) . ?
 C8 C9 1.396(5) . ?
 C8 H8 0.99(3) . ?
 C9 C10 1.387(5) . ?
 C9 H9 0.99(4) . ?
 C10 C11 1.387(5) . ?
 C10 H10 1.00(3) . ?
 C11 H11 1.01(3) . ?
 C12 C13 1.386(5) . ?
 C12 C17 1.394(5) . ?
 C13 C14 1.386(5) . ?
 C13 H13 0.98(3) . ?
 C14 C15 1.391(5) . ?
 C14 H14 0.94(3) . ?
 C15 C16 1.385(5) . ?
 C15 H15 0.97(3) . ?
 C16 C17 1.385(5) . ?
 C16 H16 0.98(3) . ?
 C17 H17 0.97(3) . ?
 C18 C19 1.399(5) . ?
 C18 C23 1.398(5) . ?
 C19 C20 1.382(5) . ?
 C19 H19 1.00(4) . ?
 C20 C21 1.391(5) . ?
 C20 H20 0.99(3) . ?
 C21 C22 1.387(5) . ?
 C21 H21 1.08(3) . ?
 C22 C23 1.383(5) . ?
 C22 H22 0.98(4) . ?
 C23 H23 1.04(3) . ?

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
 C1 O1 C4 120.1(3) . . ?
 C3 N1 C4 118.2(3) . . ?
 C3 N1 C5 114.8(3) . . ?
 C4 N1 C5 60.1(2) . . ?
 O1 C1 C18 112.0(3) . . ?
 C2 C1 O1 121.4(3) . . ?
 C2 C1 C18 126.6(3) . . ?
 C1 C2 C3 123.0(3) . . ?
 C1 C2 H2 118.3(18) . . ?
 C3 C2 H2 118.3(19) . . ?
 O2 C3 N1 118.2(3) . . ?
 O2 C3 C2 124.7(4) . . ?
 N1 C3 C2 117.0(3) . . ?
 O1 C4 N1 120.0(3) . . ?
 O1 C4 C5 117.2(3) . . ?
 O1 C4 C12 108.0(3) . . ?
 N1 C4 C5 61.8(2) . . ?
 N1 C4 C12 117.8(3) . . ?
 C5 C4 C12 126.0(3) . . ?
 N1 C5 H5 114.2(19) . . ?
 C4 C5 N1 58.0(2) . . ?
 C4 C5 H5 112(2) . . ?
 C6 C5 N1 118.9(3) . . ?
 C6 C5 C4 125.3(3) . . ?
 C6 C5 H5 115.7(19) . . ?
 C7 C6 C5 122.1(3) . . ?
 C7 C6 C11 119.7(3) . . ?
 C11 C6 C5 118.2(3) . . ?
 C6 C7 C8 119.9(3) . . ?
 C6 C7 H7 122(2) . . ?
 C8 C7 H7 118(2) . . ?
 C7 C8 C9 120.5(4) . . ?
 C7 C8 H8 122(2) . . ?
 C9 C8 H8 117(2) . . ?
 C8 C9 H9 121(2) . . ?
 C10 C9 C8 119.2(4) . . ?
 C10 C9 H9 119(2) . . ?
 C9 C10 H10 125(2) . . ?
 C11 C10 C9 120.5(3) . . ?
 C11 C10 H10 115(2) . . ?
 C6 C11 H11 117.1(18) . . ?
 C10 C11 C6 120.2(3) . . ?
 C10 C11 H11 122.7(19) . . ?
 C13 C12 C4 120.7(3) . . ?
 C13 C12 C17 119.8(4) . . ?
 C17 C12 C4 119.4(3) . . ?
 C12 C13 C14 120.2(3) . . ?
 C12 C13 H13 116.4(18) . . ?
 C14 C13 H13 122.7(18) . . ?
 C13 C14 C15 119.9(4) . . ?
 C13 C14 H14 123(2) . . ?
 C15 C14 H14 117(2) . . ?
 C14 C15 H15 118.5(19) . . ?
 C16 C15 C14 119.9(4) . . ?
 C16 C15 H15 121.6(19) . . ?
 C15 C16 C17 120.3(3) . . ?
 C15 C16 H16 122(2) . . ?
 C17 C16 H16 117(2) . . ?
 C12 C17 H17 117.1(19) . . ?
 C16 C17 C12 119.9(3) . . ?
 C16 C17 H17 123.0(19) . . ?
 C19 C18 C1 119.5(3) . . ?
 C23 C18 C1 121.3(3) . . ?
 C23 C18 C19 119.2(3) . . ?
 C18 C19 H19 119(2) . . ?
 C20 C19 C18 119.9(3) . . ?
 C20 C19 H19 121(2) . . ?
 C19 C20 C21 120.7(3) . . ?
 C19 C20 H20 120.3(18) . . ?
 C21 C20 H20 119.0(18) . . ?
 C20 C21 H21 121.8(18) . . ?
 C22 C21 C20 119.4(4) . . ?
 C22 C21 H21 118.6(18) . . ?
 C21 C22 H22 123(2) . . ?
 C23 C22 C21 120.4(4) . . ?
 C23 C22 H22 116(2) . . ?
 C18 C23 H23 117(2) . . ?
 C22 C23 C18 120.3(3) . . ?
 C22 C23 H23 123(2) . . ?

