# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_xl
_database_code_depnum_ccdc_archive 'CCDC 2448531'
loop_
_audit_author_name
_audit_author_address
'Lei Xie'
;Liaocheng University
China
;
_audit_update_record             
;
2025-05-04 deposited with the CCDC.	2025-10-22 downloaded from the CCDC.
;
_audit_creation_date             2025-04-22
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H23 N O3'
_chemical_formula_sum            'C26 H23 N O3'
_chemical_formula_weight         397.45
_chemical_absolute_configuration .
_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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   11.1530(3)
_cell_length_b                   6.2741(2)
_cell_length_c                   15.0812(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.2520(10)
_cell_angle_gamma                90
_cell_volume                     1038.46(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6594
_cell_measurement_temperature    300.0
_cell_measurement_theta_max      67.665
_cell_measurement_theta_min      5.423
_shelx_estimated_absorpt_T_max   0.949
_shelx_estimated_absorpt_T_min   0.901
_exptl_absorpt_coefficient_mu    0.662
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.6429
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1488 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.8538.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13453
_diffrn_reflns_point_group_measured_fraction_full 0.928
_diffrn_reflns_point_group_measured_fraction_max 0.926
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.101
_diffrn_reflns_theta_min         4.028
_diffrn_ambient_temperature      300.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.697
_reflns_Friedel_fraction_full    0.850
_reflns_Friedel_fraction_max     0.845
_reflns_number_gt                3270
_reflns_number_total             3529
_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 V8.41 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.41 (?, 2016)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.117
_refine_diff_density_min         -0.134
_refine_diff_density_rms         0.034
_refine_ls_abs_structure_details 
;
 Flack x determined using 1255 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3529
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0316
_refine_ls_restrained_S_all      1.056
_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)+(0.0473P)²+0.0499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0820
_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 Ternary CH refined with riding coordinates:
 C10(H10), C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C6(H6), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19), C21(H21), C23(H23), C24(H24), C27(H27)
2.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C)
;
_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
O3 O 0.24581(16) 0.9576(3) 0.72233(11) 0.0611(4) Uani 1 1 d . . . . .
O2 O 0.62502(12) 0.6731(3) 0.91983(10) 0.0544(4) Uani 1 1 d . . . . .
O1 O 0.57364(13) 0.2286(3) 0.92945(9) 0.0512(4) Uani 1 1 d . . . . .
C1 C 0.6134(3) 0.3974(6) 0.63663(19) 0.0761(8) Uani 1 1 d . . . . .
H1 H 0.626694 0.517908 0.603840 0.091 Uiso 1 1 calc R U . . .
C2 C 0.6503(2) 0.3947(4) 0.72913(17) 0.0584(6) Uani 1 1 d . . . . .
H2 H 0.687554 0.514491 0.758217 0.070 Uiso 1 1 calc R U . . .
C3 C 0.5573(3) 0.2231(7) 0.59332(19) 0.0892(10) Uani 1 1 d . . . . .
H3 H 0.532483 0.224891 0.531103 0.107 Uiso 1 1 calc R U . . .
C4 C 0.5380(3) 0.0465(7) 0.6417(2) 0.0961(11) Uani 1 1 d . . . . .
H4 H 0.498217 -0.071039 0.612493 0.115 Uiso 1 1 calc R U . . .
C5 C 0.63256(17) 0.2166(4) 0.77874(14) 0.0477(5) Uani 1 1 d . . . . .
C6 C 0.5772(3) 0.0420(5) 0.73353(17) 0.0719(8) Uani 1 1 d . . . . .
H6 H 0.566077 -0.080981 0.765564 0.086 Uiso 1 1 calc R U . . .
C7 C 0.67321(18) 0.2106(4) 0.87870(15) 0.0534(5) Uani 1 1 d . . . . .
H7A H 0.716135 0.077825 0.894840 0.064 Uiso 1 1 calc R U . . .
H7B H 0.730239 0.326233 0.896224 0.064 Uiso 1 1 calc R U . . .
N8 N 0.49244(14) 0.3913(3) 0.89741(11) 0.0435(4) Uani 1 1 d . . . . .
C9 C 0.52268(17) 0.5977(3) 0.89617(12) 0.0418(4) Uani 1 1 d . . . . .
C10 C 0.40820(16) 0.7119(3) 0.85601(12) 0.0403(4) Uani 1 1 d . . . . .
H10 H 0.393363 0.857304 0.875221 0.048 Uiso 1 1 calc R U . . .
C11 C 0.35493(16) 0.6383(3) 0.76162(13) 0.0406(4) Uani 1 1 d . . . . .
H11 H 0.405904 0.541173 0.733497 0.049 Uiso 1 1 calc R U . . .
C12 C 0.30752(17) 0.5504(3) 0.84377(12) 0.0394(4) Uani 1 1 d . . . . .
C13 C 0.36368(17) 0.3374(3) 0.87521(13) 0.0425(5) Uani 1 1 d . . . . .
H13A H 0.333190 0.285511 0.927569 0.051 Uiso 1 1 calc R U . . .
H13B H 0.348443 0.231377 0.827720 0.051 Uiso 1 1 calc R U . . .
C14 C 0.18002(17) 0.5938(3) 0.85703(13) 0.0426(4) Uani 1 1 d . . . . .
C15 C 0.1474(2) 0.7779(4) 0.89662(15) 0.0535(5) Uani 1 1 d . . . . .
H15 H 0.205860 0.881534 0.915872 0.064 Uiso 1 1 calc R U . . .
C16 C 0.0922(2) 0.4416(5) 0.82993(19) 0.0657(7) Uani 1 1 d . . . . .
H16 H 0.112926 0.315626 0.803894 0.079 Uiso 1 1 calc R U . . .
C17 C -0.0271(2) 0.4751(5) 0.8413(2) 0.0802(9) Uani 1 1 d . . . . .
H17 H -0.085995 0.372248 0.821983 0.096 Uiso 1 1 calc R U . . .
C18 C -0.0587(2) 0.6578(5) 0.88043(19) 0.0680(7) Uani 1 1 d . . . . .
H18 H -0.138656 0.679036 0.888400 0.082 Uiso 1 1 calc R U . . .
C19 C 0.0282(2) 0.8097(5) 0.90794(17) 0.0628(6) Uani 1 1 d . . . . .
H19 H 0.006964 0.934890 0.934368 0.075 Uiso 1 1 calc R U . . .
C20 C 0.27348(18) 0.7811(3) 0.69905(13) 0.0451(5) Uani 1 1 d . . . . .
C21 C 0.2440(2) 0.4898(4) 0.58076(15) 0.0577(6) Uani 1 1 d . . . . .
H21 H 0.286843 0.394499 0.621856 0.069 Uiso 1 1 calc R U . . .
C22 C 0.22569(18) 0.6975(4) 0.60716(13) 0.0452(5) Uani 1 1 d . . . . .
C23 C 0.1582(2) 0.8331(4) 0.54388(15) 0.0583(6) Uani 1 1 d . . . . .
H23 H 0.142945 0.972247 0.560064 0.070 Uiso 1 1 calc R U . . .
C24 C 0.1137(2) 0.7632(5) 0.45759(16) 0.0663(7) Uani 1 1 d . . . . .
H24 H 0.068742 0.856300 0.416585 0.080 Uiso 1 1 calc R U . . .
C25 C 0.1344(2) 0.5583(5) 0.43067(14) 0.0605(7) Uani 1 1 d . . . . .
C26 C 0.0889(3) 0.4845(7) 0.33560(17) 0.0863(10) Uani 1 1 d . . . . .
H26A H 0.005834 0.528920 0.316985 0.130 Uiso 1 1 calc R U . . .
H26B H 0.093473 0.331911 0.333048 0.130 Uiso 1 1 calc R U . . .
H26C H 0.138311 0.545715 0.296181 0.130 Uiso 1 1 calc R U . . .
C27 C 0.1990(2) 0.4241(5) 0.49395(16) 0.0658(6) Uani 1 1 d . . . . .
H27 H 0.212866 0.284480 0.477628 0.079 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
O3 C20 1.218(3) . ?
O2 C9 1.228(2) . ?
O1 C7 1.461(2) . ?
O1 N8 1.393(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.382(4) . ?
C1 C3 1.366(5) . ?
C2 H2 0.9300 . ?
C2 C5 1.378(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.364(5) . ?
C4 H4 0.9300 . ?
C4 C6 1.377(4) . ?
C5 C6 1.377(4) . ?
C5 C7 1.495(3) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
N8 C9 1.339(3) . ?
N8 C13 1.455(2) . ?
C9 C10 1.495(3) . ?
C10 H10 0.9800 . ?
C10 C11 1.514(3) . ?
C10 C12 1.500(3) . ?
C11 H11 0.9800 . ?
C11 C12 1.534(3) . ?
C11 C20 1.488(3) . ?
C12 C13 1.516(3) . ?
C12 C14 1.496(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.379(3) . ?
C14 C16 1.377(3) . ?
C15 H15 0.9300 . ?
C15 C19 1.385(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.387(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.364(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.370(4) . ?
C19 H19 0.9300 . ?
C20 C22 1.489(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.388(3) . ?
C21 C27 1.379(3) . ?
C22 C23 1.395(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.379(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.380(4) . ?
C25 C26 1.506(3) . ?
C25 C27 1.377(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27 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
N8 O1 C7 112.51(15) . . ?
C2 C1 H1 119.9 . . ?
C3 C1 H1 119.9 . . ?
C3 C1 C2 120.1(3) . . ?
C1 C2 H2 119.6 . . ?
C5 C2 C1 120.8(3) . . ?
C5 C2 H2 119.6 . . ?
C1 C3 H3 120.1 . . ?
C4 C3 C1 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C6 120.2(3) . . ?
C6 C4 H4 119.9 . . ?
C2 C5 C7 121.4(2) . . ?
C6 C5 C2 118.1(2) . . ?
C6 C5 C7 120.5(2) . . ?
C4 C6 C5 121.0(3) . . ?
C4 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
O1 C7 C5 113.82(16) . . ?
O1 C7 H7A 108.8 . . ?
O1 C7 H7B 108.8 . . ?
C5 C7 H7A 108.8 . . ?
C5 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
O1 N8 C13 117.63(16) . . ?
C9 N8 O1 124.31(16) . . ?
C9 N8 C13 117.53(16) . . ?
O2 C9 N8 126.3(2) . . ?
O2 C9 C10 128.0(2) . . ?
N8 C9 C10 105.67(16) . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 113.50(16) . . ?
C9 C10 C12 107.02(17) . . ?
C11 C10 H10 120.2 . . ?
C12 C10 H10 120.2 . . ?
C12 C10 C11 61.19(12) . . ?
C10 C11 H11 115.8 . . ?
C10 C11 C12 58.95(12) . . ?
C12 C11 H11 115.8 . . ?
C20 C11 C10 120.40(18) . . ?
C20 C11 H11 115.8 . . ?
C20 C11 C12 118.01(15) . . ?
C10 C12 C11 59.87(12) . . ?
C10 C12 C13 107.38(15) . . ?
C13 C12 C11 112.78(16) . . ?
C14 C12 C10 124.70(18) . . ?
C14 C12 C11 121.01(16) . . ?
C14 C12 C13 117.94(17) . . ?
N8 C13 C12 101.72(16) . . ?
N8 C13 H13A 111.4 . . ?
N8 C13 H13B 111.4 . . ?
C12 C13 H13A 111.4 . . ?
C12 C13 H13B 111.4 . . ?
H13A C13 H13B 109.3 . . ?
C15 C14 C12 122.76(18) . . ?
C16 C14 C12 118.5(2) . . ?
C16 C14 C15 118.74(19) . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C19 120.5(2) . . ?
C19 C15 H15 119.8 . . ?
C14 C16 H16 119.8 . . ?
C14 C16 C17 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.5(2) . . ?
C19 C18 H18 120.3 . . ?
C15 C19 H19 119.8 . . ?
C18 C19 C15 120.4(2) . . ?
C18 C19 H19 119.8 . . ?
O3 C20 C11 121.47(19) . . ?
O3 C20 C22 121.44(19) . . ?
C11 C20 C22 117.09(18) . . ?
C22 C21 H21 119.8 . . ?
C27 C21 H21 119.8 . . ?
C27 C21 C22 120.4(2) . . ?
C21 C22 C20 123.44(19) . . ?
C21 C22 C23 117.7(2) . . ?
C23 C22 C20 118.8(2) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 119.2 . . ?
C23 C24 C25 121.6(2) . . ?
C25 C24 H24 119.2 . . ?
C24 C25 C26 121.4(3) . . ?
C27 C25 C24 117.4(2) . . ?
C27 C25 C26 121.2(3) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 C27 H27 118.9 . . ?
C25 C27 C21 122.2(3) . . ?
C25 C27 H27 118.9 . . ?

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
O3 C20 C22 C21 -172.9(2) . . . . ?
O3 C20 C22 C23 6.7(3) . . . . ?
O2 C9 C10 C11 117.5(2) . . . . ?
O2 C9 C10 C12 -177.08(18) . . . . ?
O1 N8 C9 O2 2.4(3) . . . . ?
O1 N8 C9 C10 179.61(15) . . . . ?
O1 N8 C13 C12 -179.97(14) . . . . ?
C1 C2 C5 C6 0.0(3) . . . . ?
C1 C2 C5 C7 179.3(2) . . . . ?
C1 C3 C4 C6 -1.4(5) . . . . ?
C2 C1 C3 C4 0.0(5) . . . . ?
C2 C5 C6 C4 -1.5(4) . . . . ?
C2 C5 C7 O1 105.4(2) . . . . ?
C3 C1 C2 C5 0.7(4) . . . . ?
C3 C4 C6 C5 2.2(5) . . . . ?
C6 C5 C7 O1 -75.3(3) . . . . ?
C7 O1 N8 C9 -61.4(2) . . . . ?
C7 O1 N8 C13 127.21(18) . . . . ?
C7 C5 C6 C4 179.2(3) . . . . ?
N8 O1 C7 C5 -46.2(3) . . . . ?
N8 C9 C10 C11 -59.6(2) . . . . ?
N8 C9 C10 C12 5.8(2) . . . . ?
C9 N8 C13 C12 8.1(2) . . . . ?
C9 C10 C11 C12 97.19(18) . . . . ?
C9 C10 C11 C20 -156.41(17) . . . . ?
C9 C10 C12 C11 -107.91(17) . . . . ?
C9 C10 C12 C13 -1.2(2) . . . . ?
C9 C10 C12 C14 143.27(18) . . . . ?
C10 C11 C12 C13 -97.52(17) . . . . ?
C10 C11 C12 C14 114.8(2) . . . . ?
C10 C11 C20 O3 -1.4(3) . . . . ?
C10 C11 C20 C22 179.50(17) . . . . ?
C10 C12 C13 N8 -3.44(19) . . . . ?
C10 C12 C14 C15 -11.3(3) . . . . ?
C10 C12 C14 C16 169.9(2) . . . . ?
C11 C10 C12 C13 106.70(16) . . . . ?
C11 C10 C12 C14 -108.8(2) . . . . ?
C11 C12 C13 N8 60.52(19) . . . . ?
C11 C12 C14 C15 -84.0(3) . . . . ?
C11 C12 C14 C16 97.1(3) . . . . ?
C11 C20 C22 C21 6.2(3) . . . . ?
C11 C20 C22 C23 -174.24(18) . . . . ?
C12 C10 C11 C20 106.40(19) . . . . ?
C12 C11 C20 O3 67.1(3) . . . . ?
C12 C11 C20 C22 -111.9(2) . . . . ?
C12 C14 C15 C19 -179.5(2) . . . . ?
C12 C14 C16 C17 179.8(2) . . . . ?
C13 N8 C9 O2 173.83(18) . . . . ?
C13 N8 C9 C10 -9.0(2) . . . . ?
C13 C12 C14 C15 129.8(2) . . . . ?
C13 C12 C14 C16 -49.0(3) . . . . ?
C14 C12 C13 N8 -150.71(16) . . . . ?
C14 C15 C19 C18 0.4(4) . . . . ?
C14 C16 C17 C18 -0.9(5) . . . . ?
C15 C14 C16 C17 0.9(4) . . . . ?
C16 C14 C15 C19 -0.7(3) . . . . ?
C16 C17 C18 C19 0.6(5) . . . . ?
C17 C18 C19 C15 -0.4(4) . . . . ?
C20 C11 C12 C10 -110.4(2) . . . . ?
C20 C11 C12 C13 152.08(17) . . . . ?
C20 C11 C12 C14 4.4(3) . . . . ?
C20 C22 C23 C24 179.0(2) . . . . ?
C21 C22 C23 C24 -1.4(3) . . . . ?
C22 C21 C27 C25 -0.4(4) . . . . ?
C22 C23 C24 C25 -0.2(4) . . . . ?
C23 C24 C25 C26 -178.2(2) . . . . ?
C23 C24 C25 C27 1.4(4) . . . . ?
C24 C25 C27 C21 -1.1(4) . . . . ?
C26 C25 C27 C21 178.4(3) . . . . ?
C27 C21 C22 C20 -178.8(2) . . . . ?
C27 C21 C22 C23 1.7(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
