# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bo4618
_database_code_depnum_ccdc_archive 'CCDC 1519788'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2017-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
(2'R,3'R,4'R)-4'-benzoyl-1-methyl-3'-phenyl-5'-thioxospiro[indoline-3,2'-pyrrolidin]-2-one
_chemical_name_common            ?
_chemical_melting_point          501-502
_chemical_formula_moiety         'C25 H20 N2 O2 S'
_chemical_formula_sum            'C25 H20 N2 O2 S'
_chemical_formula_weight         412.49

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   7.7445(12)
_cell_length_b                   13.971(2)
_cell_length_c                   19.150(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2072.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    8975
_cell_measurement_theta_min      2.579
_cell_measurement_theta_max      31.502

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             864
_exptl_absorpt_coefficient_mu    0.181
_exptl_absorpt_correction_type   Multi-scans
_exptl_absorpt_correction_T_min  0.9444
_exptl_absorpt_correction_T_max  0.9910
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            27704
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         31.50
_reflns_number_total             6908
_reflns_number_gt                6447
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0453P)²+0.0160P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_number_reflns         6908
_refine_ls_number_parameters     276
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0361
_refine_ls_wR_factor_ref         0.0827
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      1.001
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.64077(4) 0.68230(2) 0.538320(14) 0.02230(7) Uani 1 1 d . . .
O1 O 0.23004(12) 0.67601(8) 0.31777(5) 0.0310(2) Uani 1 1 d . . .
O2 O 0.63303(12) 0.46030(6) 0.43738(5) 0.02540(18) Uani 1 1 d . . .
N1 N 0.38641(14) 0.76614(8) 0.23887(5) 0.0241(2) Uani 1 1 d . . .
N2 N 0.52141(14) 0.73199(8) 0.41327(5) 0.0213(2) Uani 1 1 d . . .
C1 C 0.55157(16) 0.80860(9) 0.23663(6) 0.0220(2) Uani 1 1 d . . .
C2 C 0.62255(19) 0.86414(10) 0.18449(7) 0.0292(3) Uani 1 1 d . . .
H2 H 0.5624 0.8762 0.1422 0.035 Uiso 1 1 calc R . .
C3 C 0.7859(2) 0.90172(11) 0.19659(8) 0.0335(3) Uani 1 1 d . . .
H3 H 0.8388 0.9400 0.1616 0.040 Uiso 1 1 calc R . .
C4 C 0.8739(2) 0.88466(10) 0.25871(7) 0.0319(3) Uani 1 1 d . . .
H4 H 0.9843 0.9126 0.2661 0.038 Uiso 1 1 calc R . .
C5 C 0.80115(17) 0.82680(9) 0.31024(7) 0.0254(3) Uani 1 1 d . . .
H5 H 0.8610 0.8145 0.3526 0.031 Uiso 1 1 calc R . .
C6 C 0.64018(16) 0.78796(8) 0.29815(6) 0.0200(2) Uani 1 1 d . . .
C7 C 0.53512(16) 0.71609(9) 0.33844(6) 0.0194(2) Uani 1 1 d . . .
C8 C 0.36077(16) 0.71640(9) 0.29931(6) 0.0223(2) Uani 1 1 d . . .
C9 C 0.62697(15) 0.67904(8) 0.45176(5) 0.0181(2) Uani 1 1 d . . .
C10 C 0.72927(15) 0.61434(9) 0.40261(5) 0.0180(2) Uani 1 1 d . . .
H10 H 0.8431 0.6442 0.3911 0.022 Uiso 1 1 calc R . .
C11 C 0.61222(15) 0.61265(8) 0.33735(5) 0.0181(2) Uani 1 1 d . . .
H11 H 0.5153 0.5674 0.3474 0.022 Uiso 1 1 calc R . .
C12 C 0.68722(16) 0.58464(8) 0.26736(6) 0.0198(2) Uani 1 1 d . . .
C13 C 0.85768(18) 0.60244(9) 0.24878(6) 0.0248(2) Uani 1 1 d . . .
H13 H 0.9358 0.6281 0.2821 0.030 Uiso 1 1 calc R . .
C14 C 0.91408(19) 0.58266(11) 0.18103(7) 0.0315(3) Uani 1 1 d . . .
H14 H 1.0307 0.5949 0.1686 0.038 Uiso 1 1 calc R . .
C15 C 0.8022(2) 0.54547(11) 0.13199(7) 0.0349(3) Uani 1 1 d . . .
H15 H 0.8410 0.5332 0.0858 0.042 Uiso 1 1 calc R . .
C16 C 0.6328(2) 0.52606(11) 0.15047(7) 0.0351(3) Uani 1 1 d . . .
H16 H 0.5557 0.4996 0.1171 0.042 Uiso 1 1 calc R . .
C17 C 0.57544(18) 0.54518(10) 0.21778(6) 0.0269(3) Uani 1 1 d . . .
H17 H 0.4594 0.5313 0.2302 0.032 Uiso 1 1 calc R . .
C18 C 0.75620(15) 0.51452(8) 0.43386(6) 0.0182(2) Uani 1 1 d . . .
C19 C 0.92987(15) 0.48384(9) 0.45858(6) 0.0196(2) Uani 1 1 d . . .
C20 C 1.06834(16) 0.54645(10) 0.46634(7) 0.0250(2) Uani 1 1 d . . .
H20 H 1.0549 0.6122 0.4549 0.030 Uiso 1 1 calc R . .
C21 C 1.22653(18) 0.51299(12) 0.49077(8) 0.0337(3) Uani 1 1 d . . .
H21 H 1.3200 0.5562 0.4970 0.040 Uiso 1 1 calc R . .
C22 C 1.24771(19) 0.41676(12) 0.50607(8) 0.0377(3) Uani 1 1 d . . .
H22 H 1.3563 0.3940 0.5221 0.045 Uiso 1 1 calc R . .
C23 C 1.11135(19) 0.35383(11) 0.49810(8) 0.0364(3) Uani 1 1 d . . .
H23 H 1.1263 0.2878 0.5085 0.044 Uiso 1 1 calc R . .
C24 C 0.95276(18) 0.38723(10) 0.47498(7) 0.0272(3) Uani 1 1 d . . .
H24 H 0.8588 0.3440 0.4702 0.033 Uiso 1 1 calc R . .
C25 C 0.25752(19) 0.77732(13) 0.18464(7) 0.0369(3) Uani 1 1 d . . .
H25A H 0.1466 0.7524 0.2012 0.044 Uiso 1 1 calc R . .
H25B H 0.2935 0.7419 0.1430 0.044 Uiso 1 1 calc R . .
H25C H 0.2453 0.8453 0.1731 0.044 Uiso 1 1 calc R . .
H2N H 0.4506(19) 0.7726(11) 0.4301(8) 0.023(4) 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
S1 C9 1.6616(11) . ?
O1 C8 1.2118(16) . ?
O2 C18 1.2200(14) . ?
N1 C8 1.3646(15) . ?
N1 C1 1.4106(16) . ?
N1 C25 1.4488(16) . ?
N2 C9 1.3262(15) . ?
N2 C7 1.4540(15) . ?
N2 H2N 0.853(16) . ?
C1 C2 1.3787(18) . ?
C1 C6 1.3936(16) . ?
C2 C3 1.389(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.3945(19) . ?
C4 H4 0.9500 . ?
C5 C6 1.3792(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.5052(17) . ?
C7 C8 1.5442(17) . ?
C7 C11 1.5638(17) . ?
C9 C10 1.5267(16) . ?
C10 C18 1.5318(17) . ?
C10 C11 1.5440(15) . ?
C10 H10 1.0000 . ?
C11 C12 1.5123(15) . ?
C11 H11 1.0000 . ?
C12 C13 1.3896(18) . ?
C12 C17 1.3982(17) . ?
C13 C14 1.3966(17) . ?
C13 H13 0.9500 . ?
C14 C15 1.380(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.3892(18) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.4890(16) . ?
C19 C20 1.3918(17) . ?
C19 C24 1.3971(18) . ?
C20 C21 1.3922(18) . ?
C20 H20 0.9500 . ?
C21 C22 1.386(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.3865(19) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
C8 N1 C1 111.83(10) . . ?
C8 N1 C25 124.24(11) . . ?
C1 N1 C25 123.89(11) . . ?
C9 N2 C7 114.68(10) . . ?
C9 N2 H2N 123.9(10) . . ?
C7 N2 H2N 121.4(10) . . ?
C2 C1 C6 122.16(12) . . ?
C2 C1 N1 128.33(12) . . ?
C6 C1 N1 109.50(11) . . ?
C1 C2 C3 117.08(13) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 121.5 . . ?
C2 C3 C4 121.58(13) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 120.42(13) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 118.33(12) . . ?
C6 C5 H5 120.8 . . ?
C4 C5 H5 120.8 . . ?
C5 C6 C1 120.37(11) . . ?
C5 C6 C7 131.69(11) . . ?
C1 C6 C7 107.77(11) . . ?
N2 C7 C6 116.28(10) . . ?
N2 C7 C8 114.45(10) . . ?
C6 C7 C8 102.83(10) . . ?
N2 C7 C11 100.49(9) . . ?
C6 C7 C11 113.78(10) . . ?
C8 C7 C11 109.27(9) . . ?
O1 C8 N1 127.31(12) . . ?
O1 C8 C7 125.99(11) . . ?
N1 C8 C7 106.60(10) . . ?
N2 C9 C10 107.91(9) . . ?
N2 C9 S1 125.37(9) . . ?
C10 C9 S1 126.72(9) . . ?
C9 C10 C18 111.65(9) . . ?
C9 C10 C11 101.73(9) . . ?
C18 C10 C11 112.47(10) . . ?
C9 C10 H10 110.2 . . ?
C18 C10 H10 110.2 . . ?
C11 C10 H10 110.2 . . ?
C12 C11 C10 119.72(10) . . ?
C12 C11 C7 113.43(9) . . ?
C10 C11 C7 101.50(9) . . ?
C12 C11 H11 107.2 . . ?
C10 C11 H11 107.2 . . ?
C7 C11 H11 107.2 . . ?
C13 C12 C17 119.00(11) . . ?
C13 C12 C11 123.06(11) . . ?
C17 C12 C11 117.78(11) . . ?
C12 C13 C14 119.97(12) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.69(14) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.65(12) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C15 C16 C17 120.13(13) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C12 120.53(13) . . ?
C16 C17 H17 119.7 . . ?
C12 C17 H17 119.7 . . ?
O2 C18 C19 120.66(11) . . ?
O2 C18 C10 118.72(11) . . ?
C19 C18 C10 120.61(10) . . ?
C20 C19 C24 119.05(11) . . ?
C20 C19 C18 123.30(11) . . ?
C24 C19 C18 117.66(11) . . ?
C19 C20 C21 120.18(13) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 120.06(14) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.22(13) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 119.86(14) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 120.62(13) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
N1 C25 H25A 109.5 . . ?
N1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
N1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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
C8 N1 C1 C2 -179.67(13) . . . . ?
C25 N1 C1 C2 -1.9(2) . . . . ?
C8 N1 C1 C6 -0.81(14) . . . . ?
C25 N1 C1 C6 176.93(12) . . . . ?
C6 C1 C2 C3 -1.9(2) . . . . ?
N1 C1 C2 C3 176.80(13) . . . . ?
C1 C2 C3 C4 -0.4(2) . . . . ?
C2 C3 C4 C5 1.6(2) . . . . ?
C3 C4 C5 C6 -0.5(2) . . . . ?
C4 C5 C6 C1 -1.73(18) . . . . ?
C4 C5 C6 C7 172.86(13) . . . . ?
C2 C1 C6 C5 3.04(19) . . . . ?
N1 C1 C6 C5 -175.90(11) . . . . ?
C2 C1 C6 C7 -172.72(12) . . . . ?
N1 C1 C6 C7 8.34(14) . . . . ?
C9 N2 C7 C6 -99.82(13) . . . . ?
C9 N2 C7 C8 140.41(11) . . . . ?
C9 N2 C7 C11 23.47(13) . . . . ?
C5 C6 C7 N2 47.31(18) . . . . ?
C1 C6 C7 N2 -137.59(11) . . . . ?
C5 C6 C7 C8 173.18(12) . . . . ?
C1 C6 C7 C8 -11.72(12) . . . . ?
C5 C6 C7 C11 -68.77(16) . . . . ?
C1 C6 C7 C11 106.33(11) . . . . ?
C1 N1 C8 O1 176.44(13) . . . . ?
C25 N1 C8 O1 -1.3(2) . . . . ?
C1 N1 C8 C7 -6.85(14) . . . . ?
C25 N1 C8 C7 175.42(12) . . . . ?
N2 C7 C8 O1 -45.02(18) . . . . ?
C6 C7 C8 O1 -172.06(12) . . . . ?
C11 C7 C8 O1 66.75(16) . . . . ?
N2 C7 C8 N1 138.22(11) . . . . ?
C6 C7 C8 N1 11.18(12) . . . . ?
C11 C7 C8 N1 -110.01(11) . . . . ?
C7 N2 C9 C10 -1.42(14) . . . . ?
C7 N2 C9 S1 179.59(9) . . . . ?
N2 C9 C10 C18 -141.84(10) . . . . ?
S1 C9 C10 C18 37.13(14) . . . . ?
N2 C9 C10 C11 -21.68(12) . . . . ?
S1 C9 C10 C11 157.29(9) . . . . ?
C9 C10 C11 C12 159.83(10) . . . . ?
C18 C10 C11 C12 -80.59(13) . . . . ?
C9 C10 C11 C7 34.15(11) . . . . ?
C18 C10 C11 C7 153.72(9) . . . . ?
N2 C7 C11 C12 -164.32(10) . . . . ?
C6 C7 C11 C12 -39.31(13) . . . . ?
C8 C7 C11 C12 74.97(12) . . . . ?
N2 C7 C11 C10 -34.57(11) . . . . ?
C6 C7 C11 C10 90.44(11) . . . . ?
C8 C7 C11 C10 -155.28(9) . . . . ?
C10 C11 C12 C13 -31.04(17) . . . . ?
C7 C11 C12 C13 88.80(14) . . . . ?
C10 C11 C12 C17 153.58(12) . . . . ?
C7 C11 C12 C17 -86.59(13) . . . . ?
C17 C12 C13 C14 1.24(19) . . . . ?
C11 C12 C13 C14 -174.09(12) . . . . ?
C12 C13 C14 C15 0.0(2) . . . . ?
C13 C14 C15 C16 -1.1(2) . . . . ?
C14 C15 C16 C17 0.9(2) . . . . ?
C15 C16 C17 C12 0.4(2) . . . . ?
C13 C12 C17 C16 -1.5(2) . . . . ?
C11 C12 C17 C16 174.13(12) . . . . ?
C9 C10 C18 O2 72.18(13) . . . . ?
C11 C10 C18 O2 -41.45(14) . . . . ?
C9 C10 C18 C19 -108.61(12) . . . . ?
C11 C10 C18 C19 137.76(10) . . . . ?
O2 C18 C19 C20 -169.45(11) . . . . ?
C10 C18 C19 C20 11.35(17) . . . . ?
O2 C18 C19 C24 10.20(17) . . . . ?
C10 C18 C19 C24 -169.00(11) . . . . ?
C24 C19 C20 C21 -0.63(19) . . . . ?
C18 C19 C20 C21 179.01(11) . . . . ?
C19 C20 C21 C22 1.4(2) . . . . ?
C20 C21 C22 C23 -0.9(2) . . . . ?
C21 C22 C23 C24 -0.2(2) . . . . ?
C22 C23 C24 C19 1.0(2) . . . . ?
C20 C19 C24 C23 -0.53(19) . . . . ?
C18 C19 C24 C23 179.81(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        31.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.264
_refine_diff_density_min         -0.197
_refine_diff_density_rms         0.043
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: petroleum ether-ethyl acetate'
_chemical_properties_physical    ', Air-sensitive'
