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

data_2_rt_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2014875'
loop_
_audit_author_name
_audit_author_address
'Worawat Wattanathana'
;Department of Materials Engineering, Faculty of Engineering, Kasetsart University
Thailand
;
_audit_update_record             
;
2020-07-08 deposited with the CCDC.	2020-09-17 downloaded from the CCDC.
;
_audit_creation_date             2020-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H25 N O2'
_chemical_formula_sum            'C30 H25 N O2'
_chemical_formula_weight         431.51
_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 0.0181 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'

_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.
;
_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_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.740(4)
_cell_length_b                   4.6409(6)
_cell_length_c                   34.041(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.029(7)
_cell_angle_gamma                90
_cell_volume                     4467.7(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    8437
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      68.487
_cell_measurement_theta_min      3.126
_shelx_estimated_absorpt_T_max   0.988
_shelx_estimated_absorpt_T_min   0.745
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6341
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0780 before and 0.0517 after correction. The Ratio of minimum to maximum transmission is 0.8420. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            16010
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.241
_diffrn_reflns_theta_min         3.456
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-III CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3515
_reflns_number_total             4084
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.174
_refine_diff_density_min         -0.160
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4084
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0521
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0549P)²+4.5304P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1466
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C3(H3A,H3B), C2(H2A,H2B)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C10(H10), C16(H16), C22(H22), C15(H15), C24(H24), C30(H30),
 C27(H27), C28(H28), C29(H29)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
O1 O 0.62792(5) 0.0630(4) 0.32308(5) 0.0613(4) Uani 1 1 d . . . . .
O2 O 0.73314(5) 0.7662(4) 0.32091(5) 0.0642(4) Uani 1 1 d . . . . .
N1 N 0.68084(6) 0.4124(4) 0.32218(5) 0.0489(4) Uani 1 1 d . . . . .
C13 C 0.60952(6) 0.5542(4) 0.19454(6) 0.0409(4) Uani 1 1 d . . . . .
C7 C 0.63291(6) 0.5103(4) 0.23721(6) 0.0404(4) Uani 1 1 d . . . . .
C12 C 0.56237(7) 0.4395(4) 0.17714(6) 0.0421(4) Uani 1 1 d . . . . .
C17 C 0.52727(7) 0.5828(4) 0.14159(6) 0.0445(4) Uani 1 1 d . . . . .
C11 C 0.54841(7) 0.2288(4) 0.19951(6) 0.0461(5) Uani 1 1 d . . . . .
H11 H 0.520217 0.131441 0.187235 0.055 Uiso 1 1 calc R U . . .
C6 C 0.61521(6) 0.3068(4) 0.25962(6) 0.0420(4) Uani 1 1 d . . . . .
C5 C 0.64067(7) 0.2487(4) 0.30338(6) 0.0465(5) Uani 1 1 d . . . . .
C9 C 0.69854(7) 0.6246(4) 0.30200(6) 0.0476(5) Uani 1 1 d . . . . .
C21 C 0.48251(7) 0.6626(5) 0.14499(6) 0.0486(5) Uani 1 1 d . . . . .
C8 C 0.67498(6) 0.6625(4) 0.25750(6) 0.0439(4) Uani 1 1 d . . . . .
C18 C 0.53805(7) 0.6701(5) 0.10595(6) 0.0511(5) Uani 1 1 d . . . . .
C10 C 0.57480(7) 0.1561(4) 0.23966(6) 0.0461(5) Uani 1 1 d . . . . .
H10 H 0.565085 0.004932 0.253051 0.055 Uiso 1 1 calc R U . . .
C14 C 0.63534(7) 0.7011(5) 0.17134(6) 0.0487(5) Uani 1 1 d . . . . .
C16 C 0.69359(7) 0.8500(5) 0.23539(7) 0.0528(5) Uani 1 1 d . . . . .
H16 H 0.718625 0.969826 0.248999 0.063 Uiso 1 1 calc R U . . .
C19 C 0.58279(8) 0.5888(5) 0.09798(7) 0.0567(5) Uani 1 1 d . . . . .
C22 C 0.45219(8) 0.8295(5) 0.11407(7) 0.0585(6) Uani 1 1 d . . . . .
H22 H 0.423043 0.881036 0.116714 0.070 Uiso 1 1 calc R U . . .
C20 C 0.62714(8) 0.6260(5) 0.12744(7) 0.0558(5) Uani 1 1 d . . . . .
C15 C 0.67485(7) 0.8598(5) 0.19254(7) 0.0560(5) Uani 1 1 d . . . . .
H15 H 0.689277 0.976228 0.177714 0.067 Uiso 1 1 calc R U . . .
C23 C 0.46322(8) 0.9222(5) 0.07967(7) 0.0620(6) Uani 1 1 d . . . . .
C4 C 0.70566(8) 0.3590(5) 0.36594(6) 0.0579(6) Uani 1 1 d . . . . .
H4A H 0.737674 0.432351 0.372442 0.069 Uiso 1 1 calc R U . . .
H4B H 0.707647 0.152625 0.370704 0.069 Uiso 1 1 calc R U . . .
C24 C 0.50608(8) 0.8362(5) 0.07598(7) 0.0609(6) Uani 1 1 d . . . . .
H24 H 0.513931 0.891101 0.052645 0.073 Uiso 1 1 calc R U . . .
C3 C 0.68216(9) 0.4959(6) 0.39485(7) 0.0656(6) Uani 1 1 d . . . . .
H3A H 0.678020 0.700354 0.388908 0.079 Uiso 1 1 calc R U . . .
H3B H 0.651107 0.411367 0.390113 0.079 Uiso 1 1 calc R U . . .
C25 C 0.46566(8) 0.5951(6) 0.18159(7) 0.0628(6) Uani 1 1 d . . . . .
H25A H 0.452999 0.403243 0.178894 0.094 Uiso 1 1 calc R U . . .
H25B H 0.441539 0.730046 0.182514 0.094 Uiso 1 1 calc R U . . .
H25C H 0.491738 0.609209 0.206593 0.094 Uiso 1 1 calc R U . . .
C30 C 0.66781(9) 0.5603(7) 0.11639(8) 0.0752(8) Uani 1 1 d . . . . .
H30 H 0.697492 0.582844 0.135771 0.090 Uiso 1 1 calc R U . . .
C27 C 0.58030(10) 0.4901(7) 0.05871(8) 0.0755(7) Uani 1 1 d . . . . .
H27 H 0.550897 0.465613 0.038982 0.091 Uiso 1 1 calc R U . . .
C26 C 0.43074(10) 1.1201(7) 0.04821(9) 0.0873(9) Uani 1 1 d . . . . .
H26A H 0.398506 1.079870 0.046423 0.131 Uiso 1 1 calc R U . . .
H26B H 0.435076 1.089414 0.021726 0.131 Uiso 1 1 calc R U . . .
H26C H 0.438012 1.316794 0.056489 0.131 Uiso 1 1 calc R U . . .
C28 C 0.62088(13) 0.4279(9) 0.04859(9) 0.0971(11) Uani 1 1 d . . . . .
H28 H 0.618616 0.361955 0.022247 0.116 Uiso 1 1 calc R U . . .
C2 C 0.71080(12) 0.4549(8) 0.43932(8) 0.0911(9) Uani 1 1 d . . . . .
H2A H 0.715859 0.250204 0.444630 0.109 Uiso 1 1 calc R U . . .
H2B H 0.741522 0.543594 0.443851 0.109 Uiso 1 1 calc R U . . .
C29 C 0.66440(11) 0.4634(9) 0.07741(9) 0.0967(11) Uani 1 1 d . . . . .
H29 H 0.691658 0.421921 0.070584 0.116 Uiso 1 1 calc R U . . .
C1 C 0.68888(13) 0.5776(10) 0.46978(9) 0.1114(13) Uani 1 1 d . . . . .
H1A H 0.684540 0.781394 0.465401 0.167 Uiso 1 1 calc R U . . .
H1B H 0.709256 0.542395 0.497334 0.167 Uiso 1 1 calc R U . . .
H1C H 0.658795 0.487629 0.466147 0.167 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
O1 C5 1.222(2) . ?
O2 C9 1.223(2) . ?
N1 C5 1.393(3) . ?
N1 C9 1.394(3) . ?
N1 C4 1.465(3) . ?
C13 C7 1.418(3) . ?
C13 C12 1.445(3) . ?
C13 C14 1.433(3) . ?
C7 C6 1.414(3) . ?
C7 C8 1.417(3) . ?
C12 C17 1.488(3) . ?
C12 C11 1.380(3) . ?
C17 C21 1.420(3) . ?
C17 C18 1.407(3) . ?
C11 H11 0.9300 . ?
C11 C10 1.391(3) . ?
C6 C5 1.472(3) . ?
C6 C10 1.375(3) . ?
C9 C8 1.469(3) . ?
C21 C22 1.390(3) . ?
C21 C25 1.513(3) . ?
C8 C16 1.374(3) . ?
C18 C19 1.487(3) . ?
C18 C24 1.392(3) . ?
C10 H10 0.9300 . ?
C14 C20 1.479(3) . ?
C14 C15 1.385(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.392(3) . ?
C19 C20 1.399(3) . ?
C19 C27 1.393(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(3) . ?
C20 C30 1.407(3) . ?
C15 H15 0.9300 . ?
C23 C24 1.378(3) . ?
C23 C26 1.511(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C3 1.512(3) . ?
C24 H24 0.9300 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C2 1.502(3) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C30 H30 0.9300 . ?
C30 C29 1.375(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.384(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C28 H28 0.9300 . ?
C28 C29 1.371(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C1 1.498(4) . ?
C29 H29 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C5 N1 C9 124.05(17) . . ?
C5 N1 C4 117.74(18) . . ?
C9 N1 C4 118.21(17) . . ?
C7 C13 C12 118.25(17) . . ?
C7 C13 C14 117.16(17) . . ?
C14 C13 C12 124.54(18) . . ?
C6 C7 C13 120.16(17) . . ?
C6 C7 C8 119.34(18) . . ?
C8 C7 C13 120.47(17) . . ?
C13 C12 C17 121.08(17) . . ?
C11 C12 C13 117.03(18) . . ?
C11 C12 C17 120.70(17) . . ?
C21 C17 C12 119.31(17) . . ?
C18 C17 C12 122.71(17) . . ?
C18 C17 C21 117.67(18) . . ?
C12 C11 H11 118.7 . . ?
C12 C11 C10 122.67(18) . . ?
C10 C11 H11 118.7 . . ?
C7 C6 C5 120.51(17) . . ?
C10 C6 C7 119.18(18) . . ?
C10 C6 C5 120.27(18) . . ?
O1 C5 N1 120.01(19) . . ?
O1 C5 C6 122.33(19) . . ?
N1 C5 C6 117.66(17) . . ?
O2 C9 N1 120.32(19) . . ?
O2 C9 C8 122.2(2) . . ?
N1 C9 C8 117.40(17) . . ?
C17 C21 C25 124.80(19) . . ?
C22 C21 C17 119.2(2) . . ?
C22 C21 C25 115.85(19) . . ?
C7 C8 C9 120.69(18) . . ?
C16 C8 C7 119.56(19) . . ?
C16 C8 C9 119.74(18) . . ?
C17 C18 C19 122.68(19) . . ?
C24 C18 C17 120.3(2) . . ?
C24 C18 C19 116.96(19) . . ?
C11 C10 H10 119.9 . . ?
C6 C10 C11 120.22(18) . . ?
C6 C10 H10 119.9 . . ?
C13 C14 C20 119.72(19) . . ?
C15 C14 C13 118.58(19) . . ?
C15 C14 C20 119.98(18) . . ?
C8 C16 H16 120.1 . . ?
C8 C16 C15 119.8(2) . . ?
C15 C16 H16 120.1 . . ?
C20 C19 C18 122.4(2) . . ?
C27 C19 C18 118.3(2) . . ?
C27 C19 C20 119.1(2) . . ?
C21 C22 H22 118.4 . . ?
C23 C22 C21 123.2(2) . . ?
C23 C22 H22 118.4 . . ?
C19 C20 C14 125.28(19) . . ?
C19 C20 C30 118.6(2) . . ?
C30 C20 C14 115.8(2) . . ?
C14 C15 C16 121.92(19) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C22 C23 C26 121.6(2) . . ?
C24 C23 C22 117.2(2) . . ?
C24 C23 C26 121.2(2) . . ?
N1 C4 H4A 108.8 . . ?
N1 C4 H4B 108.8 . . ?
N1 C4 C3 113.69(18) . . ?
H4A C4 H4B 107.7 . . ?
C3 C4 H4A 108.8 . . ?
C3 C4 H4B 108.8 . . ?
C18 C24 H24 118.8 . . ?
C23 C24 C18 122.3(2) . . ?
C23 C24 H24 118.8 . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 107.9 . . ?
C2 C3 C4 111.8(2) . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C30 H30 119.5 . . ?
C29 C30 C20 121.1(3) . . ?
C29 C30 H30 119.5 . . ?
C19 C27 H27 119.5 . . ?
C28 C27 C19 121.1(3) . . ?
C28 C27 H27 119.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C3 C2 H2A 108.6 . . ?
C3 C2 H2B 108.6 . . ?
H2A C2 H2B 107.6 . . ?
C1 C2 C3 114.7(3) . . ?
C1 C2 H2A 108.6 . . ?
C1 C2 H2B 108.6 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 120.0 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 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
O2 C9 C8 C7 -175.27(19) . . . . ?
O2 C9 C8 C16 4.0(3) . . . . ?
N1 C9 C8 C7 6.7(3) . . . . ?
N1 C9 C8 C16 -174.07(18) . . . . ?
N1 C4 C3 C2 -175.6(2) . . . . ?
C13 C7 C6 C5 176.74(16) . . . . ?
C13 C7 C6 C10 -0.9(3) . . . . ?
C13 C7 C8 C9 178.05(17) . . . . ?
C13 C7 C8 C16 -1.2(3) . . . . ?
C13 C12 C17 C21 -125.4(2) . . . . ?
C13 C12 C17 C18 47.9(3) . . . . ?
C13 C12 C11 C10 9.4(3) . . . . ?
C13 C14 C20 C19 45.5(3) . . . . ?
C13 C14 C20 C30 -127.9(2) . . . . ?
C13 C14 C15 C16 8.6(3) . . . . ?
C7 C13 C12 C17 149.70(17) . . . . ?
C7 C13 C12 C11 -17.9(3) . . . . ?
C7 C13 C14 C20 147.26(19) . . . . ?
C7 C13 C14 C15 -17.8(3) . . . . ?
C7 C6 C5 O1 -175.77(18) . . . . ?
C7 C6 C5 N1 3.7(3) . . . . ?
C7 C6 C10 C11 -8.2(3) . . . . ?
C7 C8 C16 C15 -8.7(3) . . . . ?
C12 C13 C7 C6 14.0(3) . . . . ?
C12 C13 C7 C8 -167.97(17) . . . . ?
C12 C13 C14 C20 -30.3(3) . . . . ?
C12 C13 C14 C15 164.68(19) . . . . ?
C12 C17 C21 C22 171.63(18) . . . . ?
C12 C17 C21 C25 -4.4(3) . . . . ?
C12 C17 C18 C19 9.3(3) . . . . ?
C12 C17 C18 C24 -171.60(19) . . . . ?
C12 C11 C10 C6 3.8(3) . . . . ?
C17 C12 C11 C10 -158.31(19) . . . . ?
C17 C21 C22 C23 0.3(3) . . . . ?
C17 C18 C19 C20 -50.0(3) . . . . ?
C17 C18 C19 C27 134.3(2) . . . . ?
C17 C18 C24 C23 0.1(4) . . . . ?
C11 C12 C17 C21 41.7(3) . . . . ?
C11 C12 C17 C18 -144.9(2) . . . . ?
C6 C7 C8 C9 -3.9(3) . . . . ?
C6 C7 C8 C16 176.81(18) . . . . ?
C5 N1 C9 O2 177.62(18) . . . . ?
C5 N1 C9 C8 -4.3(3) . . . . ?
C5 N1 C4 C3 -78.5(3) . . . . ?
C5 C6 C10 C11 174.15(18) . . . . ?
C9 N1 C5 O1 178.72(18) . . . . ?
C9 N1 C5 C6 -0.7(3) . . . . ?
C9 N1 C4 C3 101.1(2) . . . . ?
C9 C8 C16 C15 172.05(19) . . . . ?
C21 C17 C18 C19 -177.2(2) . . . . ?
C21 C17 C18 C24 1.9(3) . . . . ?
C21 C22 C23 C24 1.7(4) . . . . ?
C21 C22 C23 C26 -175.8(2) . . . . ?
C8 C7 C6 C5 -1.3(3) . . . . ?
C8 C7 C6 C10 -178.95(17) . . . . ?
C8 C16 C15 C14 5.0(3) . . . . ?
C18 C17 C21 C22 -2.1(3) . . . . ?
C18 C17 C21 C25 -178.1(2) . . . . ?
C18 C19 C20 C14 10.8(4) . . . . ?
C18 C19 C20 C30 -176.0(2) . . . . ?
C18 C19 C27 C28 176.0(3) . . . . ?
C10 C6 C5 O1 1.9(3) . . . . ?
C10 C6 C5 N1 -178.69(17) . . . . ?
C14 C13 C7 C6 -163.65(17) . . . . ?
C14 C13 C7 C8 14.3(3) . . . . ?
C14 C13 C12 C17 -32.8(3) . . . . ?
C14 C13 C12 C11 159.58(19) . . . . ?
C14 C20 C30 C29 174.3(3) . . . . ?
C19 C18 C24 C23 179.3(2) . . . . ?
C19 C20 C30 C29 0.5(4) . . . . ?
C19 C27 C28 C29 -0.1(6) . . . . ?
C22 C23 C24 C18 -1.9(4) . . . . ?
C20 C14 C15 C16 -156.5(2) . . . . ?
C20 C19 C27 C28 0.2(4) . . . . ?
C20 C30 C29 C28 -0.3(5) . . . . ?
C15 C14 C20 C19 -149.6(2) . . . . ?
C15 C14 C20 C30 36.9(3) . . . . ?
C4 N1 C5 O1 -1.8(3) . . . . ?
C4 N1 C5 C6 178.78(17) . . . . ?
C4 N1 C9 O2 -1.9(3) . . . . ?
C4 N1 C9 C8 176.20(17) . . . . ?
C4 C3 C2 C1 -178.2(3) . . . . ?
C24 C18 C19 C20 130.9(2) . . . . ?
C24 C18 C19 C27 -44.8(3) . . . . ?
C25 C21 C22 C23 176.7(2) . . . . ?
C27 C19 C20 C14 -173.6(2) . . . . ?
C27 C19 C20 C30 -0.4(4) . . . . ?
C27 C28 C29 C30 0.1(6) . . . . ?
C26 C23 C24 C18 175.5(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
