# 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_191209c
_database_code_depnum_ccdc_archive 'CCDC 2018309'
loop_
_audit_author_name
_audit_author_address
'Bo Jiang'
;Jiangsu Normal University
China
;
_audit_update_record             
;
2020-07-22 deposited with the CCDC.	2020-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H21 N O'
_chemical_formula_weight         423.49

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6271(8)
_cell_length_b                   10.7570(8)
_cell_length_c                   11.7417(9)
_cell_angle_alpha                66.9290(10)
_cell_angle_beta                 70.116(2)
_cell_angle_gamma                62.7670(10)
_cell_volume                     1076.60(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1196
_cell_measurement_theta_min      2.393
_cell_measurement_theta_max      26.233

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             444
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9693
_exptl_absorpt_correction_T_max  0.9807
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            5460
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0728
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.20
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3739
_reflns_number_gt                2123
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0674P)²+0.0000P] 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_number_reflns         3739
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1133
_refine_ls_R_factor_gt           0.0601
_refine_ls_wR_factor_ref         0.1535
_refine_ls_wR_factor_gt          0.1376
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.0321(2) 0.8380(2) 0.2576(2) 0.0413(6) Uani 1 1 d . . .
O1 O 0.1163(2) 0.8068(2) 0.05961(19) 0.0500(6) Uani 1 1 d . . .
C1 C 0.0551(3) 0.9656(3) 0.2163(2) 0.0351(7) Uani 1 1 d . . .
C2 C -0.0423(3) 1.0537(3) 0.2909(2) 0.0352(7) Uani 1 1 d . . .
C3 C -0.1286(3) 0.9749(3) 0.3814(2) 0.0405(7) Uani 1 1 d . . .
C4 C -0.0801(3) 0.8410(3) 0.3582(3) 0.0437(7) Uani 1 1 d . . .
C5 C -0.1422(4) 0.7394(4) 0.4287(3) 0.0587(9) Uani 1 1 d . . .
H5 H -0.1062 0.6496 0.4132 0.070 Uiso 1 1 calc R . .
C6 C -0.2570(4) 0.7756(4) 0.5208(3) 0.0752(11) Uani 1 1 d . . .
H6 H -0.3013 0.7093 0.5702 0.090 Uiso 1 1 calc R . .
C7 C -0.3107(4) 0.9095(4) 0.5439(3) 0.0746(11) Uani 1 1 d . . .
H7 H -0.3916 0.9320 0.6071 0.090 Uiso 1 1 calc R . .
C8 C -0.2478(3) 1.0078(4) 0.4763(3) 0.0552(9) Uani 1 1 d . . .
H8 H -0.2843 1.0968 0.4935 0.066 Uiso 1 1 calc R . .
C9 C 0.1600(3) 0.9823(3) 0.1006(2) 0.0370(7) Uani 1 1 d . . .
C10 C 0.1785(3) 0.9080(3) 0.0217(3) 0.0425(7) Uani 1 1 d . . .
C11 C 0.2532(3) 0.9339(3) -0.1012(3) 0.0524(9) Uani 1 1 d . . .
H11 H 0.2584 0.8861 -0.1547 0.063 Uiso 1 1 calc R . .
C12 C 0.3186(3) 1.0296(4) -0.1424(3) 0.0586(9) Uani 1 1 d . . .
H12 H 0.3646 1.0518 -0.2266 0.070 Uiso 1 1 calc R . .
C13 C 0.3191(3) 1.0961(3) -0.0622(3) 0.0474(8) Uani 1 1 d . . .
C14 C 0.2404(3) 1.0710(3) 0.0623(3) 0.0404(7) Uani 1 1 d . . .
C15 C 0.2529(3) 1.1287(3) 0.1433(3) 0.0437(7) Uani 1 1 d . . .
H15 H 0.2037 1.1113 0.2267 0.052 Uiso 1 1 calc R . .
C16 C 0.3341(3) 1.2089(3) 0.1040(3) 0.0549(8) Uani 1 1 d . . .
H16 H 0.3408 1.2455 0.1606 0.066 Uiso 1 1 calc R . .
C17 C 0.4073(4) 1.2374(3) -0.0181(4) 0.0634(10) Uani 1 1 d . . .
H17 H 0.4611 1.2953 -0.0448 0.076 Uiso 1 1 calc R . .
C18 C 0.4011(3) 1.1817(3) -0.0993(3) 0.0609(9) Uani 1 1 d . . .
H18 H 0.4523 1.2003 -0.1818 0.073 Uiso 1 1 calc R . .
C19 C -0.0718(3) 1.2056(3) 0.2742(2) 0.0365(7) Uani 1 1 d . . .
C20 C -0.0861(3) 1.3081(3) 0.1594(3) 0.0439(7) Uani 1 1 d . . .
H20 H -0.0732 1.2797 0.0896 0.053 Uiso 1 1 calc R . .
C21 C -0.1189(3) 1.4510(3) 0.1456(3) 0.0514(8) Uani 1 1 d . . .
H21 H -0.1285 1.5192 0.0669 0.062 Uiso 1 1 calc R . .
C22 C -0.1376(3) 1.4935(3) 0.2468(3) 0.0571(9) Uani 1 1 d . . .
H22 H -0.1603 1.5908 0.2378 0.068 Uiso 1 1 calc R . .
C23 C -0.1229(4) 1.3936(3) 0.3608(3) 0.0619(9) Uani 1 1 d . . .
H23 H -0.1349 1.4227 0.4299 0.074 Uiso 1 1 calc R . .
C24 C -0.0907(3) 1.2510(3) 0.3751(3) 0.0490(8) Uani 1 1 d . . .
H24 H -0.0814 1.1836 0.4541 0.059 Uiso 1 1 calc R . .
C25 C 0.1074(3) 0.7330(3) 0.1890(3) 0.0440(7) Uani 1 1 d . . .
H25 H 0.0495 0.6745 0.2109 0.053 Uiso 1 1 calc R . .
C26 C 0.2537(3) 0.6306(3) 0.2192(3) 0.0441(7) Uani 1 1 d . . .
C27 C 0.3365(4) 0.5264(3) 0.1572(3) 0.0599(9) Uani 1 1 d . . .
H27 H 0.3022 0.5209 0.0970 0.072 Uiso 1 1 calc R . .
C28 C 0.4687(4) 0.4305(4) 0.1829(4) 0.0735(11) Uani 1 1 d . . .
H28 H 0.5242 0.3596 0.1404 0.088 Uiso 1 1 calc R . .
C29 C 0.5196(4) 0.4377(4) 0.2696(4) 0.0734(11) Uani 1 1 d . . .
H29 H 0.6098 0.3712 0.2872 0.088 Uiso 1 1 calc R . .
C30 C 0.4411(4) 0.5400(4) 0.3307(3) 0.0732(11) Uani 1 1 d . . .
H30 H 0.4770 0.5451 0.3900 0.088 Uiso 1 1 calc R . .
C31 C 0.3076(4) 0.6371(3) 0.3054(3) 0.0607(9) Uani 1 1 d . . .
H31 H 0.2534 0.7083 0.3477 0.073 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
N1 C4 1.361(4) . ?
N1 C1 1.372(3) . ?
N1 C25 1.419(3) . ?
O1 C10 1.377(3) . ?
O1 C25 1.405(3) . ?
C1 C2 1.369(3) . ?
C1 C9 1.443(4) . ?
C2 C3 1.425(4) . ?
C2 C19 1.459(3) . ?
C3 C8 1.382(4) . ?
C3 C4 1.395(4) . ?
C4 C5 1.376(4) . ?
C5 C6 1.344(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.386(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.351(4) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.360(4) . ?
C9 C14 1.412(4) . ?
C10 C11 1.378(4) . ?
C11 C12 1.347(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.391(4) . ?
C12 H12 0.9300 . ?
C13 C18 1.399(4) . ?
C13 C14 1.405(4) . ?
C14 C15 1.389(4) . ?
C15 C16 1.342(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.367(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.341(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.370(3) . ?
C19 C24 1.372(4) . ?
C20 C21 1.365(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.357(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.353(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.363(4) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.503(4) . ?
C25 H25 0.9800 . ?
C26 C31 1.358(4) . ?
C26 C27 1.364(4) . ?
C27 C28 1.359(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.345(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.339(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.370(4) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?

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 N1 C1 110.1(2) . . ?
C4 N1 C25 128.4(2) . . ?
C1 N1 C25 121.1(2) . . ?
C10 O1 C25 112.7(2) . . ?
C2 C1 N1 109.1(2) . . ?
C2 C1 C9 135.5(2) . . ?
N1 C1 C9 115.0(2) . . ?
C1 C2 C3 106.0(2) . . ?
C1 C2 C19 129.0(2) . . ?
C3 C2 C19 124.5(2) . . ?
C8 C3 C4 117.9(3) . . ?
C8 C3 C2 133.7(3) . . ?
C4 C3 C2 108.3(2) . . ?
N1 C4 C5 130.6(3) . . ?
N1 C4 C3 106.6(2) . . ?
C5 C4 C3 122.8(3) . . ?
C6 C5 C4 117.2(3) . . ?
C6 C5 H5 121.4 . . ?
C4 C5 H5 121.4 . . ?
C5 C6 C7 121.5(3) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 121.3(3) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C7 C8 C3 119.3(3) . . ?
C7 C8 H8 120.3 . . ?
C3 C8 H8 120.3 . . ?
C10 C9 C14 118.3(3) . . ?
C10 C9 C1 116.0(3) . . ?
C14 C9 C1 125.6(2) . . ?
C9 C10 O1 121.0(3) . . ?
C9 C10 C11 122.6(3) . . ?
O1 C10 C11 116.3(3) . . ?
C12 C11 C10 118.8(3) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
C11 C12 C13 121.5(3) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C18 122.1(3) . . ?
C12 C13 C14 119.1(3) . . ?
C18 C13 C14 118.7(3) . . ?
C15 C14 C13 117.7(3) . . ?
C15 C14 C9 123.4(3) . . ?
C13 C14 C9 118.7(3) . . ?
C16 C15 C14 121.5(3) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C15 C16 C17 120.9(3) . . ?
C15 C16 H16 119.5 . . ?
C17 C16 H16 119.5 . . ?
C18 C17 C16 119.8(3) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C13 121.3(3) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C20 C19 C24 117.9(3) . . ?
C20 C19 C2 121.6(2) . . ?
C24 C19 C2 120.5(2) . . ?
C21 C20 C19 121.3(3) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.6(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 120.7(3) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
O1 C25 N1 108.3(2) . . ?
O1 C25 C26 111.5(2) . . ?
N1 C25 C26 113.7(2) . . ?
O1 C25 H25 107.7 . . ?
N1 C25 H25 107.7 . . ?
C26 C25 H25 107.7 . . ?
C31 C26 C27 118.4(3) . . ?
C31 C26 C25 123.0(3) . . ?
C27 C26 C25 118.7(3) . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.3(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.8(4) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C26 C31 C30 120.7(3) . . ?
C26 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?

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 N1 C1 C2 0.4(3) . . . . ?
C25 N1 C1 C2 173.0(2) . . . . ?
C4 N1 C1 C9 -172.8(2) . . . . ?
C25 N1 C1 C9 -0.2(3) . . . . ?
N1 C1 C2 C3 -0.2(3) . . . . ?
C9 C1 C2 C3 171.0(3) . . . . ?
N1 C1 C2 C19 -171.5(2) . . . . ?
C9 C1 C2 C19 -0.2(5) . . . . ?
C1 C2 C3 C8 -175.9(3) . . . . ?
C19 C2 C3 C8 -4.2(5) . . . . ?
C1 C2 C3 C4 0.0(3) . . . . ?
C19 C2 C3 C4 171.7(2) . . . . ?
C1 N1 C4 C5 179.1(3) . . . . ?
C25 N1 C4 C5 7.2(5) . . . . ?
C1 N1 C4 C3 -0.4(3) . . . . ?
C25 N1 C4 C3 -172.4(2) . . . . ?
C8 C3 C4 N1 176.9(3) . . . . ?
C2 C3 C4 N1 0.3(3) . . . . ?
C8 C3 C4 C5 -2.6(4) . . . . ?
C2 C3 C4 C5 -179.3(3) . . . . ?
N1 C4 C5 C6 -177.5(3) . . . . ?
C3 C4 C5 C6 2.0(5) . . . . ?
C4 C5 C6 C7 0.0(5) . . . . ?
C5 C6 C7 C8 -1.4(6) . . . . ?
C6 C7 C8 C3 0.7(5) . . . . ?
C4 C3 C8 C7 1.2(4) . . . . ?
C2 C3 C8 C7 176.8(3) . . . . ?
C2 C1 C9 C10 -145.0(3) . . . . ?
N1 C1 C9 C10 25.9(3) . . . . ?
C2 C1 C9 C14 33.2(5) . . . . ?
N1 C1 C9 C14 -155.8(2) . . . . ?
C14 C9 C10 O1 172.3(2) . . . . ?
C1 C9 C10 O1 -9.3(4) . . . . ?
C14 C9 C10 C11 -10.9(4) . . . . ?
C1 C9 C10 C11 167.4(3) . . . . ?
C25 O1 C10 C9 -33.1(3) . . . . ?
C25 O1 C10 C11 150.0(2) . . . . ?
C9 C10 C11 C12 4.5(4) . . . . ?
O1 C10 C11 C12 -178.7(2) . . . . ?
C10 C11 C12 C13 3.6(4) . . . . ?
C11 C12 C13 C18 172.0(3) . . . . ?
C11 C12 C13 C14 -4.8(4) . . . . ?
C12 C13 C14 C15 174.6(2) . . . . ?
C18 C13 C14 C15 -2.3(4) . . . . ?
C12 C13 C14 C9 -1.9(4) . . . . ?
C18 C13 C14 C9 -178.7(2) . . . . ?
C10 C9 C14 C15 -166.9(3) . . . . ?
C1 C9 C14 C15 15.0(4) . . . . ?
C10 C9 C14 C13 9.4(4) . . . . ?
C1 C9 C14 C13 -168.8(2) . . . . ?
C13 C14 C15 C16 1.6(4) . . . . ?
C9 C14 C15 C16 177.9(3) . . . . ?
C14 C15 C16 C17 0.4(4) . . . . ?
C15 C16 C17 C18 -1.8(5) . . . . ?
C16 C17 C18 C13 1.0(5) . . . . ?
C12 C13 C18 C17 -175.8(3) . . . . ?
C14 C13 C18 C17 1.0(4) . . . . ?
C1 C2 C19 C20 45.1(4) . . . . ?
C3 C2 C19 C20 -124.7(3) . . . . ?
C1 C2 C19 C24 -137.0(3) . . . . ?
C3 C2 C19 C24 53.2(4) . . . . ?
C24 C19 C20 C21 -0.4(4) . . . . ?
C2 C19 C20 C21 177.6(3) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C21 C22 C23 0.3(5) . . . . ?
C21 C22 C23 C24 -0.5(5) . . . . ?
C22 C23 C24 C19 0.3(5) . . . . ?
C20 C19 C24 C23 0.1(4) . . . . ?
C2 C19 C24 C23 -177.8(3) . . . . ?
C10 O1 C25 N1 55.4(3) . . . . ?
C10 O1 C25 C26 -70.5(3) . . . . ?
C4 N1 C25 O1 131.2(3) . . . . ?
C1 N1 C25 O1 -40.0(3) . . . . ?
C4 N1 C25 C26 -104.2(3) . . . . ?
C1 N1 C25 C26 84.7(3) . . . . ?
O1 C25 C26 C31 123.7(3) . . . . ?
N1 C25 C26 C31 0.8(4) . . . . ?
O1 C25 C26 C27 -56.2(3) . . . . ?
N1 C25 C26 C27 -179.1(3) . . . . ?
C31 C26 C27 C28 0.9(5) . . . . ?
C25 C26 C27 C28 -179.2(3) . . . . ?
C26 C27 C28 C29 -0.2(5) . . . . ?
C27 C28 C29 C30 -0.5(6) . . . . ?
C28 C29 C30 C31 0.5(6) . . . . ?
C27 C26 C31 C30 -1.0(5) . . . . ?
C25 C26 C31 C30 179.2(3) . . . . ?
C29 C30 C31 C26 0.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         0.164
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.043
