# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_xlh001
_database_code_depnum_ccdc_archive 'CCDC 1972984'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;Sichuan University
China
;
_audit_update_record             
;
2019-12-19 deposited with the CCDC.	2020-11-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H21 Cl N2 O4'
_chemical_formula_sum            'C27 H21 Cl N2 O4'
_chemical_formula_weight         472.91

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'
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'
Cl Cl 0.3639 0.7018 '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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.6645(7)
_cell_length_b                   10.8473(7)
_cell_length_c                   18.3820(11)
_cell_angle_alpha                90
_cell_angle_beta                 97.004(4)
_cell_angle_gamma                90
_cell_volume                     2308.5(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    8413
_cell_measurement_theta_min      4.27
_cell_measurement_theta_max      68.11

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_F_000             984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.351
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.018
_exptl_absorpt_coefficient_mu    1.775
_shelx_estimated_absorpt_T_min   0.575
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7390
_exptl_absorpt_correction_T_max  0.9564
_exptl_absorpt_process_details   'SADABS (version 2016/2)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      203(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Photon II'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74938
_diffrn_reflns_av_unetI/netI     0.0607
_diffrn_reflns_av_R_equivalents  0.1593
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         4.266
_diffrn_reflns_theta_max         69.066
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4243
_reflns_number_gt                2177
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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 APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (version 2014/5)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1883P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4243
_refine_ls_number_parameters     311
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1384
_refine_ls_R_factor_gt           0.0844
_refine_ls_wR_factor_ref         0.2974
_refine_ls_wR_factor_gt          0.2334
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_restrained_S_all      0.997
_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
Cl Cl 0.78633(14) 0.31780(17) 0.64494(8) 0.1015(6) Uani 1 1 d . . . . .
O1 O 0.5881(3) 0.7684(4) 0.4021(2) 0.0793(10) Uani 1 1 d . . . . .
O2 O 0.8225(3) 0.4519(3) 0.27139(17) 0.0677(8) Uani 1 1 d . . . . .
O3 O 0.8818(3) 0.5114(3) 0.38507(16) 0.0681(9) Uani 1 1 d . . . . .
O4 O 0.6014(3) 0.5151(3) 0.32405(17) 0.0656(8) Uani 1 1 d . . . . .
N1 N 0.8613(3) 0.6156(4) 0.43406(19) 0.0633(10) Uani 1 1 d . . . . .
N2 N 0.6733(3) 0.6752(4) 0.2666(2) 0.0594(9) Uani 1 1 d D . . . .
H2N H 0.655(5) 0.742(3) 0.239(3) 0.092(18) Uiso 1 1 d D . . . .
C1 C 0.6708(4) 0.7053(5) 0.4226(2) 0.0642(12) Uani 1 1 d . . . . .
C2 C 0.7887(4) 0.7079(5) 0.3903(2) 0.0636(11) Uani 1 1 d . . . . .
C3 C 0.7854(4) 0.6645(4) 0.3087(2) 0.0569(10) Uani 1 1 d . . . . .
C4 C 0.8247(4) 0.5316(5) 0.3169(2) 0.0616(11) Uani 1 1 d . . . . .
C5 C 0.5856(4) 0.5993(4) 0.2794(2) 0.0584(10) Uani 1 1 d . . . . .
C6 C 0.8322(4) 0.8380(5) 0.4055(3) 0.0748(14) Uani 1 1 d . . . . .
H6 H 0.785145 0.902623 0.376853 0.090 Uiso 1 1 calc R U . . .
C7 C 0.8776(5) 0.8765(6) 0.4817(3) 0.0920(18) Uani 1 1 d . . . . .
H7A H 0.885885 0.812368 0.520279 0.110 Uiso 1 1 calc R U . . .
H7B H 0.855747 0.959155 0.498290 0.110 Uiso 1 1 calc R U . . .
C8 C 0.9569(5) 0.8700(6) 0.4226(3) 0.0936(18) Uani 1 1 d . . . . .
H8A H 0.983623 0.948657 0.403146 0.112 Uiso 1 1 calc R U . . .
H8B H 1.013756 0.801893 0.425131 0.112 Uiso 1 1 calc R U . . .
C11 C 0.6864(4) 0.6213(5) 0.4843(2) 0.0634(11) Uani 1 1 d . . . . .
C12 C 0.7924(4) 0.5632(5) 0.4867(2) 0.0623(11) Uani 1 1 d . . . . .
C13 C 0.8271(4) 0.4710(5) 0.5354(3) 0.0711(13) Uani 1 1 d . . . . .
H13 H 0.900575 0.432861 0.536483 0.085 Uiso 1 1 calc R U . . .
C14 C 0.7497(5) 0.4360(5) 0.5831(3) 0.0767(14) Uani 1 1 d . . . . .
C15 C 0.6428(4) 0.4949(6) 0.5831(3) 0.0755(14) Uani 1 1 d . . . . .
H15 H 0.592504 0.470627 0.617417 0.091 Uiso 1 1 calc R U . . .
C16 C 0.6109(4) 0.5856(5) 0.5350(3) 0.0703(13) Uani 1 1 d . . . . .
H16 H 0.538351 0.625236 0.535142 0.084 Uiso 1 1 calc R U . . .
C21 C 0.4712(4) 0.6249(5) 0.2367(2) 0.0652(12) Uani 1 1 d . . . . .
C22 C 0.3963(4) 0.5266(6) 0.2205(3) 0.0785(14) Uani 1 1 d . . . . .
H22 H 0.417643 0.445809 0.236876 0.094 Uiso 1 1 calc R U . . .
C23 C 0.2901(5) 0.5481(7) 0.1803(3) 0.0913(18) Uani 1 1 d . . . . .
H23 H 0.239436 0.481005 0.167267 0.110 Uiso 1 1 calc R U . . .
C24 C 0.2574(5) 0.6651(8) 0.1590(3) 0.100(2) Uani 1 1 d . . . . .
H24 H 0.184257 0.678423 0.131346 0.120 Uiso 1 1 calc R U . . .
C25 C 0.3288(5) 0.7629(7) 0.1772(4) 0.102(2) Uani 1 1 d . . . . .
H25 H 0.304434 0.844172 0.163664 0.123 Uiso 1 1 calc R U . . .
C26 C 0.4367(5) 0.7433(6) 0.2154(3) 0.0872(17) Uani 1 1 d . . . . .
H26 H 0.487396 0.810863 0.227180 0.105 Uiso 1 1 calc R U . . .
C31 C 0.8755(4) 0.7342(5) 0.2678(3) 0.0658(12) Uani 1 1 d . . . . .
H31A H 0.855560 0.822964 0.265960 0.079 Uiso 1 1 calc R U . . .
H31B H 0.952552 0.725765 0.296544 0.079 Uiso 1 1 calc R U . . .
C32 C 0.8827(4) 0.6895(5) 0.1908(3) 0.0674(12) Uani 1 1 d . . . . .
C33 C 0.8105(5) 0.7342(5) 0.1316(3) 0.0803(14) Uani 1 1 d . . . . .
H33 H 0.756587 0.797451 0.138657 0.096 Uiso 1 1 calc R U . . .
C34 C 0.8160(6) 0.6875(6) 0.0618(3) 0.0980(19) Uani 1 1 d . . . . .
H34 H 0.765965 0.718465 0.021319 0.118 Uiso 1 1 calc R U . . .
C35 C 0.8950(6) 0.5951(7) 0.0514(4) 0.106(2) Uani 1 1 d . . . . .
H35 H 0.898691 0.563003 0.003638 0.127 Uiso 1 1 calc R U . . .
C36 C 0.9670(6) 0.5505(6) 0.1090(4) 0.0976(19) Uani 1 1 d . . . . .
H36 H 1.020599 0.487191 0.101580 0.117 Uiso 1 1 calc R U . . .
C37 C 0.9622(5) 0.5975(6) 0.1787(3) 0.0835(16) Uani 1 1 d . . . . .
H37 H 1.013496 0.566855 0.218672 0.100 Uiso 1 1 calc R U . . .


_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
Cl C14 1.733(6) . ?
O1 C1 1.205(6) . ?
O2 C4 1.201(5) . ?
O3 C4 1.362(5) . ?
O3 N1 1.483(5) . ?
O4 C5 1.227(5) . ?
N1 C12 1.447(5) . ?
N1 C2 1.483(6) . ?
N2 C5 1.355(5) . ?
N2 C3 1.440(6) . ?
C1 C11 1.449(7) . ?
C1 C2 1.563(6) . ?
C2 C6 1.514(7) . ?
C2 C3 1.568(6) . ?
C3 C4 1.514(7) . ?
C3 C31 1.560(6) . ?
C5 C21 1.490(6) . ?
C6 C8 1.492(7) . ?
C6 C7 1.495(7) . ?
C7 C8 1.512(8) . ?
C11 C12 1.384(6) . ?
C11 C16 1.412(6) . ?
C12 C13 1.371(7) . ?
C13 C14 1.384(7) . ?
C14 C15 1.401(8) . ?
C15 C16 1.344(7) . ?
C21 C22 1.387(7) . ?
C21 C26 1.387(8) . ?
C22 C23 1.383(8) . ?
C23 C24 1.369(9) . ?
C24 C25 1.365(10) . ?
C25 C26 1.381(8) . ?
C31 C32 1.509(6) . ?
C32 C33 1.380(7) . ?
C32 C37 1.398(7) . ?
C33 C34 1.388(8) . ?
C34 C35 1.390(9) . ?
C35 C36 1.358(9) . ?
C36 C37 1.385(8) . ?

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
C4 O3 N1 109.8(3) . . ?
C12 N1 O3 104.5(3) . . ?
C12 N1 C2 107.5(3) . . ?
O3 N1 C2 108.0(3) . . ?
C5 N2 C3 120.9(4) . . ?
O1 C1 C11 128.4(4) . . ?
O1 C1 C2 125.3(4) . . ?
C11 C1 C2 106.0(4) . . ?
N1 C2 C6 111.8(4) . . ?
N1 C2 C1 104.6(4) . . ?
C6 C2 C1 103.7(4) . . ?
N1 C2 C3 105.2(4) . . ?
C6 C2 C3 115.2(4) . . ?
C1 C2 C3 116.0(4) . . ?
N2 C3 C4 112.0(4) . . ?
N2 C3 C31 108.9(4) . . ?
C4 C3 C31 107.3(4) . . ?
N2 C3 C2 113.8(3) . . ?
C4 C3 C2 102.6(4) . . ?
C31 C3 C2 112.1(4) . . ?
O2 C4 O3 119.5(4) . . ?
O2 C4 C3 129.4(4) . . ?
O3 C4 C3 110.7(4) . . ?
O4 C5 N2 120.9(4) . . ?
O4 C5 C21 122.9(4) . . ?
N2 C5 C21 116.2(4) . . ?
C8 C6 C7 60.8(3) . . ?
C8 C6 C2 123.5(5) . . ?
C7 C6 C2 120.4(5) . . ?
C6 C7 C8 59.5(3) . . ?
C6 C8 C7 59.7(3) . . ?
C12 C11 C16 118.7(5) . . ?
C12 C11 C1 109.7(4) . . ?
C16 C11 C1 131.3(4) . . ?
C13 C12 C11 123.0(4) . . ?
C13 C12 N1 125.5(4) . . ?
C11 C12 N1 111.5(4) . . ?
C12 C13 C14 116.8(5) . . ?
C13 C14 C15 121.6(5) . . ?
C13 C14 Cl 119.4(5) . . ?
C15 C14 Cl 119.0(4) . . ?
C16 C15 C14 120.6(4) . . ?
C15 C16 C11 119.4(5) . . ?
C22 C21 C26 119.8(5) . . ?
C22 C21 C5 118.1(5) . . ?
C26 C21 C5 122.1(5) . . ?
C23 C22 C21 119.0(6) . . ?
C24 C23 C22 120.6(6) . . ?
C25 C24 C23 120.7(6) . . ?
C24 C25 C26 119.7(6) . . ?
C25 C26 C21 120.1(6) . . ?
C32 C31 C3 114.5(4) . . ?
C33 C32 C37 118.6(5) . . ?
C33 C32 C31 121.9(4) . . ?
C37 C32 C31 119.5(5) . . ?
C32 C33 C34 120.5(6) . . ?
C33 C34 C35 119.8(7) . . ?
C36 C35 C34 120.4(6) . . ?
C35 C36 C37 119.9(6) . . ?
C36 C37 C32 120.8(6) . . ?

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
C4 O3 N1 C12 112.2(4) . . . . ?
C4 O3 N1 C2 -2.1(4) . . . . ?
C12 N1 C2 C6 112.0(4) . . . . ?
O3 N1 C2 C6 -135.8(4) . . . . ?
C12 N1 C2 C1 0.4(5) . . . . ?
O3 N1 C2 C1 112.6(3) . . . . ?
C12 N1 C2 C3 -122.3(4) . . . . ?
O3 N1 C2 C3 -10.1(4) . . . . ?
O1 C1 C2 N1 179.4(4) . . . . ?
C11 C1 C2 N1 4.1(5) . . . . ?
O1 C1 C2 C6 62.1(6) . . . . ?
C11 C1 C2 C6 -113.3(4) . . . . ?
O1 C1 C2 C3 -65.2(6) . . . . ?
C11 C1 C2 C3 119.5(4) . . . . ?
C5 N2 C3 C4 45.1(5) . . . . ?
C5 N2 C3 C31 163.5(4) . . . . ?
C5 N2 C3 C2 -70.7(5) . . . . ?
N1 C2 C3 N2 138.5(4) . . . . ?
C6 C2 C3 N2 -97.9(5) . . . . ?
C1 C2 C3 N2 23.4(6) . . . . ?
N1 C2 C3 C4 17.3(4) . . . . ?
C6 C2 C3 C4 140.9(4) . . . . ?
C1 C2 C3 C4 -97.8(5) . . . . ?
N1 C2 C3 C31 -97.5(4) . . . . ?
C6 C2 C3 C31 26.1(6) . . . . ?
C1 C2 C3 C31 147.5(4) . . . . ?
N1 O3 C4 O2 -173.3(3) . . . . ?
N1 O3 C4 C3 14.2(4) . . . . ?
N2 C3 C4 O2 46.4(6) . . . . ?
C31 C3 C4 O2 -72.9(6) . . . . ?
C2 C3 C4 O2 168.8(4) . . . . ?
N2 C3 C4 O3 -142.0(3) . . . . ?
C31 C3 C4 O3 98.6(4) . . . . ?
C2 C3 C4 O3 -19.6(4) . . . . ?
C3 N2 C5 O4 -4.4(6) . . . . ?
C3 N2 C5 C21 175.5(4) . . . . ?
N1 C2 C6 C8 34.1(6) . . . . ?
C1 C2 C6 C8 146.3(5) . . . . ?
C3 C2 C6 C8 -85.9(6) . . . . ?
N1 C2 C6 C7 -39.1(6) . . . . ?
C1 C2 C6 C7 73.1(6) . . . . ?
C3 C2 C6 C7 -159.1(5) . . . . ?
C2 C6 C7 C8 113.9(6) . . . . ?
C2 C6 C8 C7 -109.0(6) . . . . ?
O1 C1 C11 C12 177.5(5) . . . . ?
C2 C1 C11 C12 -7.3(5) . . . . ?
O1 C1 C11 C16 2.9(9) . . . . ?
C2 C1 C11 C16 178.1(5) . . . . ?
C16 C11 C12 C13 1.0(7) . . . . ?
C1 C11 C12 C13 -174.3(4) . . . . ?
C16 C11 C12 N1 -176.7(4) . . . . ?
C1 C11 C12 N1 8.0(5) . . . . ?
O3 N1 C12 C13 62.7(6) . . . . ?
C2 N1 C12 C13 177.3(5) . . . . ?
O3 N1 C12 C11 -119.7(4) . . . . ?
C2 N1 C12 C11 -5.1(5) . . . . ?
C11 C12 C13 C14 0.6(8) . . . . ?
N1 C12 C13 C14 178.0(4) . . . . ?
C12 C13 C14 C15 -2.1(8) . . . . ?
C12 C13 C14 Cl 178.7(4) . . . . ?
C13 C14 C15 C16 1.9(8) . . . . ?
Cl C14 C15 C16 -178.9(4) . . . . ?
C14 C15 C16 C11 -0.1(8) . . . . ?
C12 C11 C16 C15 -1.3(7) . . . . ?
C1 C11 C16 C15 172.9(5) . . . . ?
O4 C5 C21 C22 -29.4(6) . . . . ?
N2 C5 C21 C22 150.7(4) . . . . ?
O4 C5 C21 C26 148.1(5) . . . . ?
N2 C5 C21 C26 -31.8(6) . . . . ?
C26 C21 C22 C23 3.1(7) . . . . ?
C5 C21 C22 C23 -179.4(4) . . . . ?
C21 C22 C23 C24 -2.5(8) . . . . ?
C22 C23 C24 C25 -0.1(10) . . . . ?
C23 C24 C25 C26 2.1(10) . . . . ?
C24 C25 C26 C21 -1.5(10) . . . . ?
C22 C21 C26 C25 -1.1(8) . . . . ?
C5 C21 C26 C25 -178.5(5) . . . . ?
N2 C3 C31 C32 -57.7(5) . . . . ?
C4 C3 C31 C32 63.7(5) . . . . ?
C2 C3 C31 C32 175.5(4) . . . . ?
C3 C31 C32 C33 86.2(6) . . . . ?
C3 C31 C32 C37 -91.8(5) . . . . ?
C37 C32 C33 C34 0.8(8) . . . . ?
C31 C32 C33 C34 -177.3(5) . . . . ?
C32 C33 C34 C35 -0.2(9) . . . . ?
C33 C34 C35 C36 -0.1(10) . . . . ?
C34 C35 C36 C37 -0.3(10) . . . . ?
C35 C36 C37 C32 0.9(9) . . . . ?
C33 C32 C37 C36 -1.2(8) . . . . ?
C31 C32 C37 C36 176.9(5) . . . . ?

_refine_diff_density_max         0.401
_refine_diff_density_min         -0.351
_refine_diff_density_rms         0.079



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: tolueney;diethyl ether; isopropyl alcohol'
