# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_1
_database_code_depnum_ccdc_archive 'CCDC 1974647'
loop_
_audit_author_name
_audit_author_address
'Prof. Dr. Ng Seik Weng'
;Faculty of Science University of Malaya
Malaysia
;
_audit_update_record             
;
2019-12-30 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_audit_creation_date             2019-12-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r6003)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C2.348 H1.739 N0.348 O0.261'
_chemical_formula_sum            'C2.35 H1.74 N0.35 O0.26'
_chemical_formula_weight         39.00
_chemical_absolute_configuration unk
_chemical_melting_point          ?
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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'

_cell_length_a                   11.5749(3)
_cell_length_b                   8.9564(2)
_cell_length_c                   12.5886(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.2140(10)
_cell_angle_gamma                90.00
_cell_volume                     1170.83(5)
_cell_formula_units_Z            23
_cell_measurement_reflns_used    9623
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      27.960
_cell_measurement_theta_min      2.903
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            white
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29710
_diffrn_reflns_theta_full        28.42
_diffrn_reflns_theta_max         28.42
_diffrn_reflns_theta_min         2.90
_diffrn_ambient_temperature      297.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4116
_reflns_number_total             5819
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40A (bu, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (bu, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         0.165
_refine_diff_density_min         -0.149
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.2(11)
_refine_ls_extinction_coef       0.027(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         5819
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0461P)²+0.1917P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
_refine_ls_wR_factor_ref         0.1147
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Rotating group:
 N14(H14A,H14B)
2.b Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C16(H16), C17(H17), C19(H19), C20(H20), N22(H22), C23(H23), C24(H24),
 C27(H27), C1(H1), C2(H2), C3(H3), C4(H4), C5(H5)
2.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_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
C30 C -0.75516(17) -0.4272(2) -0.36160(17) 0.0402(4) Uani 1 1 d . . .
C31 C -0.55311(17) -0.5814(2) -0.26385(16) 0.0365(4) Uani 1 1 d . . .
O32 O -0.61717(13) -0.77906(19) -0.41780(13) 0.0551(4) Uani 1 1 d . . .
N33 N -0.47273(17) -0.82920(19) -0.22579(16) 0.0487(4) Uani 1 1 d . . .
C7 C -0.93553(18) -0.4653(3) -0.31951(19) 0.0462(5) Uani 1 1 d . . .
C8 C -0.38072(19) -0.4930(3) -0.31849(19) 0.0475(5) Uani 1 1 d . . .
C9 C -0.46008(17) -0.6041(2) -0.13456(17) 0.0375(4) Uani 1 1 d . . .
C10 C -0.68771(17) -0.5371(2) -0.28304(16) 0.0375(4) Uani 1 1 d . . .
C11 C -0.55443(18) -0.7411(2) -0.31408(18) 0.0436(5) Uani 1 1 d . . .
C12 C -0.88048(16) -0.3881(3) -0.38294(17) 0.0430(5) Uani 1 1 d . . .
C13 C -0.50588(17) -0.4721(2) -0.32808(16) 0.0398(4) Uani 1 1 d . . .
O1 O -0.30085(17) -0.45371(19) 0.15978(14) 0.0676(5) Uani 1 1 d . . .
C15 C -0.41664(18) -0.7505(2) -0.11643(17) 0.0428(4) Uani 1 1 d . . .
C16 C -0.8698(2) -0.5755(3) -0.2381(2) 0.0522(5) Uani 1 1 d . . .
H16 H -0.9077 -0.6248 -0.1965 0.063 Uiso 1 1 calc R . .
C17 C -0.42038(18) -0.5063(2) -0.04139(17) 0.0428(4) Uani 1 1 d . . .
H17 H -0.4491 -0.4079 -0.0527 0.051 Uiso 1 1 calc R . .
C18 C -0.33564(19) -0.5581(2) 0.07112(18) 0.0467(5) Uani 1 1 d . . .
C19 C -0.2933(2) -0.7035(3) 0.08856(19) 0.0504(5) Uani 1 1 d . . .
H19 H -0.2372 -0.7359 0.1641 0.060 Uiso 1 1 calc R . .
C20 C -0.74641(19) -0.6101(3) -0.22035(19) 0.0472(5) Uani 1 1 d . . .
H20 H -0.7008 -0.6836 -0.1656 0.057 Uiso 1 1 calc R . .
N22 N -1.05647(16) -0.4056(3) -0.35389(19) 0.0633(6) Uani 1 1 d . . .
H22 H -1.1105 -0.4331 -0.3279 0.076 Uiso 1 1 calc R . .
C23 C -0.3339(2) -0.8028(3) -0.0067(2) 0.0513(5) Uani 1 1 d . . .
H23 H -0.3058 -0.9014 0.0041 0.062 Uiso 1 1 calc R . .
C24 C -0.97173(19) -0.2809(3) -0.4561(2) 0.0590(6) Uani 1 1 d . . .
H24 H -0.9614 -0.2138 -0.5077 0.071 Uiso 1 1 calc R . .
C25 C -0.4511(2) -0.9866(3) -0.2378(2) 0.0639(7) Uani 1 1 d . . .
H25A H -0.5023 -1.0160 -0.3195 0.077 Uiso 1 1 calc R . .
H25B H -0.4810 -1.0438 -0.1893 0.077 Uiso 1 1 calc R . .
N26 N -0.28058(19) -0.5147(3) -0.3136(2) 0.0712(6) Uani 1 1 d . . .
C27 C -1.0772(2) -0.2960(3) -0.4356(2) 0.0677(7) Uani 1 1 d . . .
H27 H -1.1523 -0.2400 -0.4718 0.081 Uiso 1 1 calc R . .
C28 C -0.2134(3) -0.4980(4) 0.2766(2) 0.0759(8) Uani 1 1 d . . .
H28A H -0.1360 -0.5360 0.2763 0.114 Uiso 1 1 calc R . .
H28B H -0.2524 -0.5743 0.3036 0.114 Uiso 1 1 calc R . .
H28C H -0.1930 -0.4134 0.3286 0.114 Uiso 1 1 calc R . .
C29 C -0.3121(3) -1.0261(3) -0.2025(2) 0.0658(7) Uani 1 1 d . . .
C1 C -0.2603(3) -1.1537(4) -0.1384(4) 0.0993(11) Uani 1 1 d . . .
H1 H -0.3110 -1.2144 -0.1160 0.119 Uiso 1 1 calc R . .
C2 C -0.2340(4) -0.9360(5) -0.2313(4) 0.1169(14) Uani 1 1 d . . .
H2 H -0.2667 -0.8483 -0.2734 0.140 Uiso 1 1 calc R . .
C3 C -0.1331(5) -1.1933(5) -0.1068(4) 0.1311(17) Uani 1 1 d . . .
H3 H -0.0992 -1.2813 -0.0654 0.157 Uiso 1 1 calc R . .
C4 C -0.1074(5) -0.9749(7) -0.1982(6) 0.168(2) Uani 1 1 d . . .
H4 H -0.0555 -0.9131 -0.2183 0.201 Uiso 1 1 calc R . .
C5 C -0.0584(5) -1.1008(7) -0.1374(6) 0.158(2) Uani 1 1 d . . .
H5 H 0.0271 -1.1256 -0.1158 0.190 Uiso 1 1 calc R . .
O14 O -0.70539(13) -0.34305(18) -0.42482(13) 0.0507(4) Uani 1 1 d . . .
N14 N -0.54740(19) -0.2663(2) -0.46445(17) 0.0600(5) Uani 1 1 d . . .
H14A H -0.4903 -0.3056 -0.4825 0.072 Uiso 1 1 d R . .
H14B H -0.6138 -0.2415 -0.5288 0.072 Uiso 1 1 d R . .
C6 C -0.58143(18) -0.3663(2) -0.40371(18) 0.0434(5) Uani 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
C30 C10 1.369(3) . ?
C30 C12 1.398(3) . ?
C30 O14 1.392(2) . ?
C31 C9 1.517(3) . ?
C31 C10 1.520(2) . ?
C31 C11 1.561(3) . ?
C31 C13 1.517(3) . ?
O32 C11 1.229(2) . ?
N33 C11 1.350(3) . ?
N33 C15 1.423(3) . ?
N33 C25 1.451(3) . ?
C7 C12 1.404(3) . ?
C7 C16 1.384(3) . ?
C7 N22 1.378(3) . ?
C8 C13 1.412(3) . ?
C8 N26 1.150(3) . ?
C9 C15 1.386(3) . ?
C9 C17 1.371(3) . ?
C10 C20 1.409(3) . ?
C12 C24 1.424(3) . ?
C13 C6 1.354(3) . ?
O1 C18 1.373(3) . ?
O1 C28 1.425(3) . ?
C15 C23 1.370(3) . ?
C16 H16 0.9300 . ?
C16 C20 1.380(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.399(3) . ?
C18 C19 1.375(3) . ?
C19 H19 0.9300 . ?
C19 C23 1.397(3) . ?
C20 H20 0.9300 . ?
N22 H22 0.8600 . ?
N22 C27 1.363(4) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C24 C27 1.362(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C29 1.510(3) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C1 1.374(4) . ?
C29 C2 1.375(5) . ?
C1 H1 0.9300 . ?
C1 C3 1.391(5) . ?
C2 H2 0.9300 . ?
C2 C4 1.379(5) . ?
C3 H3 0.9300 . ?
C3 C5 1.370(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.340(7) . ?
C5 H5 0.9300 . ?
O14 C6 1.355(2) . ?
N14 H14A 0.8631 . ?
N14 H14B 0.8638 . ?
N14 C6 1.345(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
C10 C30 C12 122.08(18) . . ?
C10 C30 O14 123.66(16) . . ?
O14 C30 C12 114.25(18) . . ?
C9 C31 C10 113.41(15) . . ?
C9 C31 C11 100.79(15) . . ?
C9 C31 C13 113.96(15) . . ?
C10 C31 C11 110.42(15) . . ?
C13 C31 C10 109.39(15) . . ?
C13 C31 C11 108.46(15) . . ?
C11 N33 C15 111.18(17) . . ?
C11 N33 C25 124.9(2) . . ?
C15 N33 C25 123.8(2) . . ?
C16 C7 C12 122.24(17) . . ?
N22 C7 C12 106.5(2) . . ?
N22 C7 C16 131.3(2) . . ?
N26 C8 C13 177.3(3) . . ?
C15 C9 C31 109.71(17) . . ?
C17 C9 C31 130.04(18) . . ?
C17 C9 C15 120.23(18) . . ?
C30 C10 C31 121.33(15) . . ?
C30 C10 C20 118.43(17) . . ?
C20 C10 C31 120.25(18) . . ?
O32 C11 C31 125.4(2) . . ?
O32 C11 N33 125.7(2) . . ?
N33 C11 C31 108.90(16) . . ?
C30 C12 C7 117.42(19) . . ?
C30 C12 C24 134.7(2) . . ?
C7 C12 C24 107.87(18) . . ?
C8 C13 C31 117.82(17) . . ?
C6 C13 C31 123.60(16) . . ?
C6 C13 C8 118.19(17) . . ?
C18 O1 C28 117.98(19) . . ?
C9 C15 N33 109.39(17) . . ?
C23 C15 N33 128.57(19) . . ?
C23 C15 C9 122.04(19) . . ?
C7 C16 H16 120.9 . . ?
C20 C16 C7 118.11(19) . . ?
C20 C16 H16 120.9 . . ?
C9 C17 H17 120.8 . . ?
C9 C17 C18 118.34(19) . . ?
C18 C17 H17 120.8 . . ?
O1 C18 C17 114.83(18) . . ?
O1 C18 C19 124.03(19) . . ?
C19 C18 C17 121.14(19) . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C23 120.32(19) . . ?
C23 C19 H19 119.8 . . ?
C10 C20 H20 119.1 . . ?
C16 C20 C10 121.7(2) . . ?
C16 C20 H20 119.1 . . ?
C7 N22 H22 125.3 . . ?
C27 N22 C7 109.40(19) . . ?
C27 N22 H22 125.3 . . ?
C15 C23 C19 117.9(2) . . ?
C15 C23 H23 121.0 . . ?
C19 C23 H23 121.0 . . ?
C12 C24 H24 126.8 . . ?
C27 C24 C12 106.3(2) . . ?
C27 C24 H24 126.8 . . ?
N33 C25 H25A 108.7 . . ?
N33 C25 H25B 108.7 . . ?
N33 C25 C29 114.0(2) . . ?
H25A C25 H25B 107.6 . . ?
C29 C25 H25A 108.7 . . ?
C29 C25 H25B 108.7 . . ?
N22 C27 H27 125.0 . . ?
C24 C27 N22 109.9(2) . . ?
C24 C27 H27 125.0 . . ?
O1 C28 H28A 109.5 . . ?
O1 C28 H28B 109.5 . . ?
O1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 C29 C25 119.9(3) . . ?
C1 C29 C2 118.4(3) . . ?
C2 C29 C25 121.6(3) . . ?
C29 C1 H1 119.6 . . ?
C29 C1 C3 120.8(4) . . ?
C3 C1 H1 119.6 . . ?
C29 C2 H2 119.8 . . ?
C29 C2 C4 120.5(4) . . ?
C4 C2 H2 119.8 . . ?
C1 C3 H3 120.5 . . ?
C5 C3 C1 119.0(4) . . ?
C5 C3 H3 120.5 . . ?
C2 C4 H4 119.7 . . ?
C5 C4 C2 120.6(5) . . ?
C5 C4 H4 119.7 . . ?
C3 C5 H5 119.7 . . ?
C4 C5 C3 120.7(4) . . ?
C4 C5 H5 119.7 . . ?
C6 O14 C30 118.31(16) . . ?
H14A N14 H14B 109.0 . . ?
C6 N14 H14A 109.1 . . ?
C6 N14 H14B 110.0 . . ?
C13 C6 O14 123.01(17) . . ?
N14 C6 C13 127.28(18) . . ?
N14 C6 O14 109.66(18) . . ?

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
C30 C10 C20 C16 1.3(3) . . . . ?
C30 C12 C24 C27 -178.8(2) . . . . ?
C30 O14 C6 C13 3.1(3) . . . . ?
C30 O14 C6 N14 -174.40(17) . . . . ?
C31 C9 C15 N33 0.8(2) . . . . ?
C31 C9 C15 C23 -178.21(18) . . . . ?
C31 C9 C17 C18 178.03(18) . . . . ?
C31 C10 C20 C16 -178.18(19) . . . . ?
C31 C13 C6 O14 3.4(3) . . . . ?
C31 C13 C6 N14 -179.6(2) . . . . ?
N33 C15 C23 C19 -179.0(2) . . . . ?
N33 C25 C29 C1 138.7(3) . . . . ?
N33 C25 C29 C2 -40.4(4) . . . . ?
C7 C12 C24 C27 -0.1(3) . . . . ?
C7 C16 C20 C10 -0.3(3) . . . . ?
C7 N22 C27 C24 -0.3(3) . . . . ?
C8 C13 C6 O14 176.05(19) . . . . ?
C8 C13 C6 N14 -6.9(3) . . . . ?
C9 C31 C10 C30 136.93(18) . . . . ?
C9 C31 C10 C20 -43.6(2) . . . . ?
C9 C31 C11 O32 -179.82(17) . . . . ?
C9 C31 C11 N33 -1.55(19) . . . . ?
C9 C31 C13 C8 50.5(2) . . . . ?
C9 C31 C13 C6 -136.84(19) . . . . ?
C9 C15 C23 C19 -0.1(3) . . . . ?
C9 C17 C18 O1 -179.74(18) . . . . ?
C9 C17 C18 C19 -0.3(3) . . . . ?
C10 C30 C12 C7 0.6(3) . . . . ?
C10 C30 C12 C24 179.2(2) . . . . ?
C10 C30 O14 C6 -3.1(3) . . . . ?
C10 C31 C9 C15 118.40(18) . . . . ?
C10 C31 C9 C17 -59.7(3) . . . . ?
C10 C31 C11 O32 60.0(2) . . . . ?
C10 C31 C11 N33 -121.73(17) . . . . ?
C10 C31 C13 C8 178.63(17) . . . . ?
C10 C31 C13 C6 -8.7(3) . . . . ?
C11 C31 C9 C15 0.39(19) . . . . ?
C11 C31 C9 C17 -177.76(19) . . . . ?
C11 C31 C10 C30 -110.8(2) . . . . ?
C11 C31 C10 C20 68.6(2) . . . . ?
C11 C31 C13 C8 -60.9(2) . . . . ?
C11 C31 C13 C6 111.8(2) . . . . ?
C11 N33 C15 C9 -2.0(2) . . . . ?
C11 N33 C15 C23 177.0(2) . . . . ?
C11 N33 C25 C29 123.5(2) . . . . ?
C12 C30 C10 C31 178.06(18) . . . . ?
C12 C30 C10 C20 -1.4(3) . . . . ?
C12 C30 O14 C6 175.61(18) . . . . ?
C12 C7 C16 C20 -0.5(3) . . . . ?
C12 C7 N22 C27 0.2(3) . . . . ?
C12 C24 C27 N22 0.2(3) . . . . ?
C13 C31 C9 C15 -115.56(18) . . . . ?
C13 C31 C9 C17 66.3(3) . . . . ?
C13 C31 C10 C30 8.5(2) . . . . ?
C13 C31 C10 C20 -172.06(18) . . . . ?
C13 C31 C11 O32 -59.9(2) . . . . ?
C13 C31 C11 N33 118.41(17) . . . . ?
O1 C18 C19 C23 179.7(2) . . . . ?
C15 N33 C11 C31 2.2(2) . . . . ?
C15 N33 C11 O32 -179.55(18) . . . . ?
C15 N33 C25 C29 -61.1(3) . . . . ?
C15 C9 C17 C18 0.0(3) . . . . ?
C16 C7 C12 C30 0.4(3) . . . . ?
C16 C7 C12 C24 -178.5(2) . . . . ?
C16 C7 N22 C27 178.5(2) . . . . ?
C17 C9 C15 N33 179.20(17) . . . . ?
C17 C9 C15 C23 0.1(3) . . . . ?
C17 C18 C19 C23 0.3(3) . . . . ?
C18 C19 C23 C15 -0.1(3) . . . . ?
N22 C7 C12 C30 178.91(18) . . . . ?
N22 C7 C12 C24 0.0(2) . . . . ?
N22 C7 C16 C20 -178.6(2) . . . . ?
C25 N33 C11 C31 178.0(2) . . . . ?
C25 N33 C11 O32 -3.7(3) . . . . ?
C25 N33 C15 C9 -177.9(2) . . . . ?
C25 N33 C15 C23 1.1(3) . . . . ?
C25 C29 C1 C3 178.9(3) . . . . ?
C25 C29 C2 C4 -179.8(4) . . . . ?
N26 C8 C13 C31 74(5) . . . . ?
N26 C8 C13 C6 -99(5) . . . . ?
C28 O1 C18 C17 -179.2(2) . . . . ?
C28 O1 C18 C19 1.3(3) . . . . ?
C29 C1 C3 C5 1.9(7) . . . . ?
C29 C2 C4 C5 -0.1(9) . . . . ?
C1 C29 C2 C4 1.1(6) . . . . ?
C1 C3 C5 C4 -0.8(9) . . . . ?
C2 C29 C1 C3 -2.0(5) . . . . ?
C2 C4 C5 C3 -0.1(10) . . . . ?
O14 C30 C10 C31 -3.3(3) . . . . ?
O14 C30 C10 C20 177.20(18) . . . . ?
O14 C30 C12 C7 -178.13(17) . . . . ?
O14 C30 C12 C24 0.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
