# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 
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data_mo_230921lu_lgpz180396_0m
_database_code_depnum_ccdc_archive 'CCDC 2366116'
loop_
_audit_author_name
_audit_author_address
ShileiLiu
;sust
China
;
_audit_update_record             
;
2024-06-27 deposited with the CCDC.	2024-09-13 downloaded from the CCDC.
;
_audit_creation_date             2023-09-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H27 N O'
_chemical_formula_sum            'C27 H27 N O'
_chemical_formula_weight         381.49
_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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.057(3)
_cell_length_b                   12.282(4)
_cell_length_c                   13.493(5)
_cell_angle_alpha                76.338(13)
_cell_angle_beta                 79.786(14)
_cell_angle_gamma                78.458(14)
_cell_volume                     1103.0(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2375
_cell_measurement_temperature    293.00
_cell_measurement_theta_max      20.72
_cell_measurement_theta_min      2.57
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.991
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1217 before and 0.0784 after correction.
The Ratio of minimum to maximum transmission is 0.8448.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.149
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             408
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1207
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32354
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.598
_diffrn_reflns_theta_min         2.974
_diffrn_ambient_temperature      293.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\ms DIAMOND'
_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                2495
_reflns_number_total             5054
_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 V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2022.08-RC130 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.272
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5054
_refine_ls_number_restraints     87
_refine_ls_R_factor_all          0.1377
_refine_ls_R_factor_gt           0.0746
_refine_ls_restrained_S_all      1.075
_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)+(0.1183P)²+0.2349P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2036
_refine_ls_wR_factor_ref         0.2676
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C24-C21 \\sim C23A-C21 \\sim C23-C21 \\sim C22A-C21 \\sim C22-C21 \\sim
C24A-C21
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C21 \\sim C24 \\sim C23 \\sim C22 \\sim C22A \\sim C23A \\sim C24A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
4. Others
 Sof(C22A)=Sof(H22D)=Sof(H22E)=Sof(H22F)=Sof(C23A)=Sof(H23D)=Sof(H23E)=
 Sof(H23F)=Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=1-FVAR(1)
 Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(H22C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C9(H9), C19(H19), C6(H6), C3(H3), C26(H26), C4(H4), C5(H5), C25(H25)
5.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C24(H24A,H24B,
 H24C), C23(H23A,H23B,H23C), C22(H22A,H22B,H22C), C22A(H22D,H22E,H22F),
 C23A(H23D,H23E,H23F), C24A(H24D,H24E,H24F)
;
_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
N1 N 0.2416(3) 0.51178(16) 0.63499(16) 0.0669(6) Uani 1 1 d . . . . .
O1 O 0.1939(3) 0.32922(17) 0.69877(19) 0.1045(7) Uani 1 1 d . . . . .
C15 C 0.2834(4) 0.7982(2) 0.51071(17) 0.0630(6) Uani 1 1 d . . . . .
H15 H 0.286706 0.865219 0.530700 0.076 Uiso 1 1 calc R U . . .
C16 C 0.2673(3) 0.69945(19) 0.58458(17) 0.0585(6) Uani 1 1 d . . . . .
C10 C 0.2946(4) 0.7977(2) 0.40630(18) 0.0663(6) Uani 1 1 d . . . . .
C17 C 0.2614(3) 0.60179(19) 0.55165(19) 0.0599(6) Uani 1 1 d . . . . .
C8 C 0.2709(3) 0.59536(19) 0.44970(19) 0.0615(6) Uani 1 1 d . . . . .
C9 C 0.2872(4) 0.6966(2) 0.37821(19) 0.0675(7) Uani 1 1 d . . . . .
H9 H 0.293335 0.696804 0.308755 0.081 Uiso 1 1 calc R U . . .
C7 C 0.2561(3) 0.4860(2) 0.4305(2) 0.0677(7) Uani 1 1 d . . . . .
C18 C 0.2508(3) 0.6684(2) 0.69600(18) 0.0635(6) Uani 1 1 d . . . . .
C19 C 0.2493(4) 0.7279(2) 0.77136(19) 0.0744(7) Uani 1 1 d . . . . .
H19 H 0.258940 0.804630 0.752485 0.089 Uiso 1 1 calc R U . . .
C27 C 0.2359(4) 0.5529(2) 0.7249(2) 0.0692(7) Uani 1 1 d . . . . .
C1 C 0.2207(4) 0.4060(2) 0.6235(2) 0.0777(8) Uani 1 1 d . . . . .
C2 C 0.2307(3) 0.3950(2) 0.5157(2) 0.0742(7) Uani 1 1 d . . . . .
C6 C 0.2617(4) 0.4673(3) 0.3316(3) 0.0830(8) Uani 1 1 d . . . . .
H6 H 0.278040 0.526011 0.274598 0.100 Uiso 1 1 calc R U . . .
C11 C 0.3067(5) 0.9094(2) 0.3263(2) 0.0819(8) Uani 1 1 d . . . . .
C3 C 0.2119(4) 0.2895(2) 0.5001(3) 0.0935(10) Uani 1 1 d . . . . .
H3 H 0.195095 0.229685 0.555985 0.112 Uiso 1 1 calc R U . . .
C26 C 0.2203(5) 0.4970(3) 0.8268(2) 0.0909(9) Uani 1 1 d . . . . .
H26 H 0.210556 0.420188 0.845791 0.109 Uiso 1 1 calc R U . . .
C20 C 0.2335(5) 0.6747(3) 0.8750(2) 0.0881(9) Uani 1 1 d . . . . .
C4 C 0.2185(4) 0.2743(3) 0.4012(4) 0.1062(12) Uani 1 1 d . . . . .
H4 H 0.206060 0.203988 0.390754 0.127 Uiso 1 1 calc R U . . .
C5 C 0.2432(4) 0.3622(3) 0.3183(3) 0.0990(11) Uani 1 1 d . . . . .
H5 H 0.247439 0.350717 0.252193 0.119 Uiso 1 1 calc R U . . .
C25 C 0.2198(5) 0.5600(3) 0.8995(2) 0.0995(10) Uani 1 1 d . . . . .
H25 H 0.209718 0.523444 0.968493 0.119 Uiso 1 1 calc R U . . .
C12 C 0.4602(6) 0.9695(3) 0.3449(3) 0.1182(13) Uani 1 1 d . . . . .
H12A H 0.430418 0.984242 0.413215 0.177 Uiso 1 1 calc R U . . .
H12B H 0.461850 1.040103 0.295670 0.177 Uiso 1 1 calc R U . . .
H12C H 0.585925 0.922450 0.337565 0.177 Uiso 1 1 calc R U . . .
C13 C 0.1105(6) 0.9889(3) 0.3378(3) 0.1299(14) Uani 1 1 d . . . . .
H13A H 0.009409 0.954059 0.325131 0.195 Uiso 1 1 calc R U . . .
H13B H 0.117259 1.059478 0.289211 0.195 Uiso 1 1 calc R U . . .
H13C H 0.081995 1.002845 0.406435 0.195 Uiso 1 1 calc R U . . .
C21 C 0.2342(7) 0.7402(4) 0.9584(2) 0.1180(13) Uani 1 1 d D U . . .
C14 C 0.3580(10) 0.8895(4) 0.2171(3) 0.175(2) Uani 1 1 d . . . . .
H14A H 0.475585 0.834913 0.212310 0.263 Uiso 1 1 calc R U . . .
H14B H 0.377403 0.959790 0.170236 0.263 Uiso 1 1 calc R U . . .
H14C H 0.253410 0.861375 0.199684 0.263 Uiso 1 1 calc R U . . .
C24 C 0.2428(13) 0.6570(6) 1.0661(4) 0.122(2) Uani 0.620(6) 1 d D U P A 1
H24A H 0.130208 0.619931 1.083654 0.184 Uiso 0.620(6) 1 calc R U P A 1
H24B H 0.244412 0.699156 1.117431 0.184 Uiso 0.620(6) 1 calc R U P A 1
H24C H 0.358923 0.601065 1.063175 0.184 Uiso 0.620(6) 1 calc R U P A 1
C23 C 0.4353(14) 0.7787(9) 0.9385(5) 0.163(3) Uani 0.620(6) 1 d D U P A 1
H23A H 0.536611 0.714222 0.934227 0.245 Uiso 0.620(6) 1 calc R U P A 1
H23B H 0.448844 0.812008 0.993939 0.245 Uiso 0.620(6) 1 calc R U P A 1
H23C H 0.445612 0.833756 0.874951 0.245 Uiso 0.620(6) 1 calc R U P A 1
C22 C 0.0354(17) 0.8139(9) 0.9666(7) 0.195(4) Uani 0.620(6) 1 d D U P A 1
H22A H 0.027728 0.874006 0.906542 0.293 Uiso 0.620(6) 1 calc R U P A 1
H22B H 0.015685 0.845878 1.026798 0.293 Uiso 0.620(6) 1 calc R U P A 1
H22C H -0.063589 0.768665 0.971709 0.293 Uiso 0.620(6) 1 calc R U P A 1
C22A C 0.230(2) 0.8696(8) 0.9207(7) 0.127(3) Uani 0.380(6) 1 d D U P A 2
H22D H 0.348854 0.883131 0.875831 0.191 Uiso 0.380(6) 1 calc R U P A 2
H22E H 0.219102 0.904084 0.978775 0.191 Uiso 0.380(6) 1 calc R U P A 2
H22F H 0.120731 0.901933 0.883962 0.191 Uiso 0.380(6) 1 calc R U P A 2
C23A C 0.405(2) 0.6885(15) 1.0173(11) 0.178(5) Uani 0.380(6) 1 d D U P A 2
H23D H 0.384464 0.615684 1.058706 0.267 Uiso 0.380(6) 1 calc R U P A 2
H23E H 0.417407 0.737564 1.060839 0.267 Uiso 0.380(6) 1 calc R U P A 2
H23F H 0.522881 0.679419 0.969590 0.267 Uiso 0.380(6) 1 calc R U P A 2
C24A C 0.057(3) 0.7340(16) 1.0408(12) 0.184(5) Uani 0.380(6) 1 d D U P A 2
H24D H -0.058509 0.746502 1.008772 0.277 Uiso 0.380(6) 1 calc R U P A 2
H24E H 0.047956 0.791264 1.079885 0.277 Uiso 0.380(6) 1 calc R U P A 2
H24F H 0.070626 0.660385 1.085694 0.277 Uiso 0.380(6) 1 calc R U P A 2


_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 C17 1.387(3) . ?
N1 C27 1.411(3) . ?
N1 C1 1.383(3) . ?
O1 C1 1.228(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.386(3) . ?
C15 C10 1.398(3) . ?
C16 C17 1.384(3) . ?
C16 C18 1.451(3) . ?
C10 C9 1.394(3) . ?
C10 C11 1.539(4) . ?
C17 C8 1.386(4) . ?
C8 C9 1.394(3) . ?
C8 C7 1.453(3) . ?
C9 H9 0.9300 . ?
C7 C2 1.416(4) . ?
C7 C6 1.399(4) . ?
C18 C19 1.382(4) . ?
C18 C27 1.400(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.392(4) . ?
C27 C26 1.380(4) . ?
C1 C2 1.481(4) . ?
C2 C3 1.395(4) . ?
C6 H6 0.9300 . ?
C6 C5 1.379(4) . ?
C11 C12 1.512(5) . ?
C11 C13 1.532(5) . ?
C11 C14 1.519(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.382(5) . ?
C26 H26 0.9300 . ?
C26 C25 1.385(5) . ?
C20 C25 1.388(5) . ?
C20 C21 1.532(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.372(5) . ?
C5 H5 0.9300 . ?
C25 H25 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C21 C24 1.570(6) . ?
C21 C23 1.544(8) . ?
C21 C22 1.511(8) . ?
C21 C22A 1.546(9) . ?
C21 C23A 1.513(11) . ?
C21 C24A 1.518(11) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C22A H22D 0.9600 . ?
C22A H22E 0.9600 . ?
C22A H22F 0.9600 . ?
C23A H23D 0.9600 . ?
C23A H23E 0.9600 . ?
C23A H23F 0.9600 . ?
C24A H24D 0.9600 . ?
C24A H24E 0.9600 . ?
C24A H24F 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
C17 N1 C27 107.4(2) . . ?
C1 N1 C17 122.2(2) . . ?
C1 N1 C27 130.3(2) . . ?
C16 C15 H15 119.8 . . ?
C16 C15 C10 120.4(2) . . ?
C10 C15 H15 119.8 . . ?
C15 C16 C18 135.7(2) . . ?
C17 C16 C15 118.0(2) . . ?
C17 C16 C18 106.3(2) . . ?
C15 C10 C11 119.2(2) . . ?
C9 C10 C15 118.8(2) . . ?
C9 C10 C11 122.0(2) . . ?
C16 C17 N1 110.6(2) . . ?
C16 C17 C8 124.7(2) . . ?
C8 C17 N1 124.8(2) . . ?
C17 C8 C9 115.3(2) . . ?
C17 C8 C7 116.6(2) . . ?
C9 C8 C7 128.0(2) . . ?
C10 C9 H9 118.6 . . ?
C8 C9 C10 122.8(2) . . ?
C8 C9 H9 118.6 . . ?
C2 C7 C8 118.6(2) . . ?
C6 C7 C8 122.9(3) . . ?
C6 C7 C2 118.4(2) . . ?
C19 C18 C16 133.5(2) . . ?
C19 C18 C27 119.2(2) . . ?
C27 C18 C16 107.3(2) . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.1(3) . . ?
C20 C19 H19 119.5 . . ?
C18 C27 N1 108.4(2) . . ?
C26 C27 N1 130.1(3) . . ?
C26 C27 C18 121.5(3) . . ?
N1 C1 C2 115.0(2) . . ?
O1 C1 N1 121.0(3) . . ?
O1 C1 C2 124.0(3) . . ?
C7 C2 C1 122.8(2) . . ?
C3 C2 C7 120.1(3) . . ?
C3 C2 C1 117.1(3) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 C7 120.3(3) . . ?
C5 C6 H6 119.8 . . ?
C12 C11 C10 111.0(2) . . ?
C12 C11 C13 107.1(3) . . ?
C12 C11 C14 107.6(3) . . ?
C13 C11 C10 108.7(3) . . ?
C14 C11 C10 112.0(3) . . ?
C14 C11 C13 110.3(3) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C27 C26 H26 121.4 . . ?
C27 C26 C25 117.2(3) . . ?
C25 C26 H26 121.4 . . ?
C19 C20 C21 121.1(3) . . ?
C25 C20 C19 117.4(3) . . ?
C25 C20 C21 121.5(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(3) . . ?
C5 C4 H4 119.8 . . ?
C6 C5 H5 119.5 . . ?
C4 C5 C6 121.0(3) . . ?
C4 C5 H5 119.5 . . ?
C26 C25 C20 123.5(3) . . ?
C26 C25 H25 118.2 . . ?
C20 C25 H25 118.2 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C20 C21 C24 110.5(4) . . ?
C20 C21 C23 106.5(4) . . ?
C20 C21 C22A 115.6(4) . . ?
C23 C21 C24 101.5(5) . . ?
C22 C21 C20 105.1(4) . . ?
C22 C21 C24 105.3(5) . . ?
C22 C21 C23 127.5(7) . . ?
C23A C21 C20 110.4(7) . . ?
C23A C21 C22A 110.0(9) . . ?
C23A C21 C24A 104.0(10) . . ?
C24A C21 C20 113.4(7) . . ?
C24A C21 C22A 102.7(9) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C22A H22D 109.5 . . ?
C21 C22A H22E 109.5 . . ?
C21 C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
C21 C23A H23D 109.5 . . ?
C21 C23A H23E 109.5 . . ?
C21 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C21 C24A H24D 109.5 . . ?
C21 C24A H24E 109.5 . . ?
C21 C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 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
N1 C17 C8 C9 178.8(2) . . . . ?
N1 C17 C8 C7 0.9(3) . . . . ?
N1 C27 C26 C25 179.6(3) . . . . ?
N1 C1 C2 C7 -1.1(3) . . . . ?
N1 C1 C2 C3 179.5(2) . . . . ?
O1 C1 C2 C7 178.1(2) . . . . ?
O1 C1 C2 C3 -1.3(4) . . . . ?
C15 C16 C17 N1 -178.89(19) . . . . ?
C15 C16 C17 C8 0.1(3) . . . . ?
C15 C16 C18 C19 -1.7(5) . . . . ?
C15 C16 C18 C27 179.0(3) . . . . ?
C15 C10 C9 C8 -0.7(4) . . . . ?
C15 C10 C11 C12 48.4(4) . . . . ?
C15 C10 C11 C13 -69.2(3) . . . . ?
C15 C10 C11 C14 168.7(3) . . . . ?
C16 C15 C10 C9 0.7(4) . . . . ?
C16 C15 C10 C11 178.3(2) . . . . ?
C16 C17 C8 C9 -0.1(3) . . . . ?
C16 C17 C8 C7 -178.0(2) . . . . ?
C16 C18 C19 C20 -179.2(3) . . . . ?
C16 C18 C27 N1 -0.3(3) . . . . ?
C16 C18 C27 C26 179.3(2) . . . . ?
C10 C15 C16 C17 -0.4(4) . . . . ?
C10 C15 C16 C18 -179.3(2) . . . . ?
C17 N1 C27 C18 0.5(3) . . . . ?
C17 N1 C27 C26 -179.1(3) . . . . ?
C17 N1 C1 O1 -176.4(2) . . . . ?
C17 N1 C1 C2 2.8(3) . . . . ?
C17 C16 C18 C19 179.4(3) . . . . ?
C17 C16 C18 C27 0.1(3) . . . . ?
C17 C8 C9 C10 0.3(4) . . . . ?
C17 C8 C7 C2 0.8(3) . . . . ?
C17 C8 C7 C6 179.5(2) . . . . ?
C8 C7 C2 C1 -0.7(3) . . . . ?
C8 C7 C2 C3 178.7(2) . . . . ?
C8 C7 C6 C5 -178.7(2) . . . . ?
C9 C10 C11 C12 -134.0(3) . . . . ?
C9 C10 C11 C13 108.4(3) . . . . ?
C9 C10 C11 C14 -13.7(5) . . . . ?
C9 C8 C7 C2 -176.8(2) . . . . ?
C9 C8 C7 C6 1.8(4) . . . . ?
C7 C8 C9 C10 178.0(2) . . . . ?
C7 C2 C3 C4 0.1(4) . . . . ?
C7 C6 C5 C4 0.2(4) . . . . ?
C18 C16 C17 N1 0.2(3) . . . . ?
C18 C16 C17 C8 179.3(2) . . . . ?
C18 C19 C20 C25 0.1(4) . . . . ?
C18 C19 C20 C21 179.3(3) . . . . ?
C18 C27 C26 C25 0.0(4) . . . . ?
C19 C18 C27 N1 -179.8(2) . . . . ?
C19 C18 C27 C26 -0.2(4) . . . . ?
C19 C20 C25 C26 -0.3(5) . . . . ?
C19 C20 C21 C24 -172.5(4) . . . . ?
C19 C20 C21 C23 -63.1(6) . . . . ?
C19 C20 C21 C22 74.4(6) . . . . ?
C19 C20 C21 C22A 6.5(8) . . . . ?
C19 C20 C21 C23A -119.0(9) . . . . ?
C19 C20 C21 C24A 124.7(9) . . . . ?
C27 N1 C17 C16 -0.5(3) . . . . ?
C27 N1 C17 C8 -179.5(2) . . . . ?
C27 N1 C1 O1 -0.6(4) . . . . ?
C27 N1 C1 C2 178.6(2) . . . . ?
C27 C18 C19 C20 0.1(4) . . . . ?
C27 C26 C25 C20 0.2(5) . . . . ?
C1 N1 C17 C16 176.2(2) . . . . ?
C1 N1 C17 C8 -2.8(4) . . . . ?
C1 N1 C27 C18 -175.8(2) . . . . ?
C1 N1 C27 C26 4.6(4) . . . . ?
C1 C2 C3 C4 179.5(2) . . . . ?
C2 C7 C6 C5 -0.1(4) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
C6 C7 C2 C1 -179.4(2) . . . . ?
C6 C7 C2 C3 0.0(4) . . . . ?
C11 C10 C9 C8 -178.2(2) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
C25 C20 C21 C24 6.6(6) . . . . ?
C25 C20 C21 C23 116.0(5) . . . . ?
C25 C20 C21 C22 -106.5(6) . . . . ?
C25 C20 C21 C22A -174.4(7) . . . . ?
C25 C20 C21 C23A 60.1(9) . . . . ?
C25 C20 C21 C24A -56.2(10) . . . . ?
C21 C20 C25 C26 -179.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
