# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2407944'
loop_
_audit_author_name
_audit_author_address
'Zhao Zhifei'
;Shihezi University
China
;
_audit_update_record             
;
2024-12-05 deposited with the CCDC.	2025-04-11 downloaded from the CCDC.
;
_audit_creation_date             2024-09-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H25 N O7'
_chemical_formula_sum            'C30 H25 N O7'
_chemical_formula_weight         511.51
_chemical_absolute_configuration ad
_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                   9.0595(3)
_cell_length_b                   9.2127(3)
_cell_length_c                   15.4455(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.057(2)
_cell_angle_gamma                90
_cell_volume                     1260.68(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      72.06
_cell_measurement_theta_min      5.23
_shelx_estimated_absorpt_T_max   0.918
_shelx_estimated_absorpt_T_min   0.897
_exptl_absorpt_coefficient_mu    0.796
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1202 before and 0.0675 after correction.
The Ratio of minimum to maximum transmission is 0.8994.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0354
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16713
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.052
_diffrn_reflns_theta_min         4.992
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.859
_reflns_Friedel_fraction_full    0.988
_reflns_Friedel_fraction_max     0.974
_reflns_number_gt                4528
_reflns_number_total             4871
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.233
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.032
_refine_ls_abs_structure_details 
;
 Flack x determined using 1951 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.03(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         4871
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0344
_refine_ls_restrained_S_all      1.044
_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)+(0.0321P)²+0.2582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0811
_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:
 C2(H2A,H2B), C15(H15A,H15B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C11(H11), C12(H12), C20(H20), C21(H21), C22(H22), C23(H23),
 C24(H24), C26(H26), C27(H27), C28(H28), C29(H29)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C13(H13A,H13B,H13C)
;
_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 0.1377(2) 0.4283(3) 0.52899(14) 0.0514(6) Uani 1 1 d . . . . .
O2 O 0.0490(2) 0.3932(3) 0.38401(14) 0.0455(5) Uani 1 1 d . . . . .
O3 O 0.2017(2) 0.2095(2) 0.25077(12) 0.0358(4) Uani 1 1 d . . . . .
O4 O 0.1528(2) 0.8164(2) 0.05474(13) 0.0396(5) Uani 1 1 d . . . . .
O5 O 0.40820(19) 0.38117(19) 0.52443(11) 0.0261(4) Uani 1 1 d . . . . .
O6 O 0.6380(2) 0.3574(2) 0.60457(12) 0.0342(4) Uani 1 1 d . . . . .
O7 O 0.5938(2) 0.56947(19) 0.41777(12) 0.0321(4) Uani 1 1 d . . . . .
N1 N 0.6767(2) 0.4656(2) 0.30075(14) 0.0266(4) Uani 1 1 d . . . . .
C1 C -0.0021(5) 0.5050(5) 0.6337(3) 0.0720(13) Uani 1 1 d . . . . .
H1A H -0.102611 0.528104 0.644109 0.108 Uiso 1 1 calc R U . . .
H1B H 0.062938 0.590682 0.646373 0.108 Uiso 1 1 calc R U . . .
H1C H 0.041607 0.425087 0.672566 0.108 Uiso 1 1 calc R U . . .
C2 C -0.0146(4) 0.4622(6) 0.5416(3) 0.0697(12) Uani 1 1 d . . . . .
H2A H -0.058752 0.542239 0.501678 0.084 Uiso 1 1 calc R U . . .
H2B H -0.080702 0.376061 0.527921 0.084 Uiso 1 1 calc R U . . .
C3 C 0.1510(3) 0.3963(3) 0.44777(18) 0.0319(6) Uani 1 1 d . . . . .
C4 C 0.3113(3) 0.3677(3) 0.44304(16) 0.0260(5) Uani 1 1 d . . . . .
C5 C 0.3551(3) 0.3396(3) 0.36711(16) 0.0249(5) Uani 1 1 d . . . . .
C6 C 0.2480(3) 0.3277(3) 0.27772(16) 0.0267(5) Uani 1 1 d . . . . .
C7 C 0.2189(3) 0.4612(3) 0.22362(16) 0.0262(5) Uani 1 1 d . . . . .
C8 C 0.1491(3) 0.4487(3) 0.13384(16) 0.0285(5) Uani 1 1 d . . . . .
H8 H 0.115890 0.356487 0.109967 0.034 Uiso 1 1 calc R U . . .
C9 C 0.1286(3) 0.5695(3) 0.08021(17) 0.0316(6) Uani 1 1 d . . . . .
H9 H 0.081761 0.559971 0.019441 0.038 Uiso 1 1 calc R U . . .
C10 C 0.1761(3) 0.7053(3) 0.11438(18) 0.0304(6) Uani 1 1 d . . . . .
C11 C 0.2408(3) 0.7210(3) 0.20375(18) 0.0324(6) Uani 1 1 d . . . . .
H11 H 0.270255 0.813976 0.227832 0.039 Uiso 1 1 calc R U . . .
C12 C 0.2615(3) 0.5987(3) 0.25715(17) 0.0292(5) Uani 1 1 d . . . . .
H12 H 0.305973 0.608934 0.318230 0.035 Uiso 1 1 calc R U . . .
C13 C 0.2153(4) 0.9547(4) 0.0834(3) 0.0591(10) Uani 1 1 d . . . . .
H13A H 0.202619 1.020670 0.032558 0.089 Uiso 1 1 calc R U . . .
H13B H 0.322937 0.943914 0.109559 0.089 Uiso 1 1 calc R U . . .
H13C H 0.163112 0.994596 0.127617 0.089 Uiso 1 1 calc R U . . .
C14 C 0.5226(3) 0.3189(3) 0.37039(15) 0.0233(5) Uani 1 1 d . . . . .
C15 C 0.5908(3) 0.2478(3) 0.46022(16) 0.0267(5) Uani 1 1 d . . . . .
H15A H 0.551185 0.147819 0.461211 0.032 Uiso 1 1 calc R U . . .
H15B H 0.701796 0.241652 0.467269 0.032 Uiso 1 1 calc R U . . .
C16 C 0.5540(3) 0.3322(3) 0.53584(16) 0.0262(5) Uani 1 1 d . . . . .
C17 C 0.5993(3) 0.4691(3) 0.36752(15) 0.0248(5) Uani 1 1 d . . . . .
C18 C 0.7657(3) 0.5874(3) 0.27992(18) 0.0317(6) Uani 1 1 d . . . . .
H18A H 0.872628 0.557004 0.288581 0.038 Uiso 1 1 calc R U . . .
H18B H 0.760193 0.667484 0.321865 0.038 Uiso 1 1 calc R U . . .
C19 C 0.7142(3) 0.6433(3) 0.18646(17) 0.0271(5) Uani 1 1 d . . . . .
C20 C 0.8157(3) 0.7239(3) 0.14994(17) 0.0306(6) Uani 1 1 d . . . . .
H20 H 0.915409 0.738613 0.183016 0.037 Uiso 1 1 calc R U . . .
C21 C 0.7736(4) 0.7827(3) 0.06630(19) 0.0375(7) Uani 1 1 d . . . . .
H21 H 0.844114 0.838098 0.042449 0.045 Uiso 1 1 calc R U . . .
C22 C 0.6292(4) 0.7616(3) 0.01697(19) 0.0402(7) Uani 1 1 d . . . . .
H22 H 0.599950 0.802340 -0.040585 0.048 Uiso 1 1 calc R U . . .
C23 C 0.5278(3) 0.6804(4) 0.05258(19) 0.0415(7) Uani 1 1 d . . . . .
H23 H 0.428412 0.665491 0.019165 0.050 Uiso 1 1 calc R U . . .
C24 C 0.5699(3) 0.6208(3) 0.13632(19) 0.0363(6) Uani 1 1 d . . . . .
H24 H 0.499628 0.564209 0.159659 0.044 Uiso 1 1 calc R U . . .
C25 C 0.6660(3) 0.3283(3) 0.25944(16) 0.0269(5) Uani 1 1 d . . . . .
C26 C 0.7399(3) 0.2805(3) 0.19523(18) 0.0338(6) Uani 1 1 d . . . . .
H26 H 0.805057 0.342443 0.171223 0.041 Uiso 1 1 calc R U . . .
C27 C 0.7147(3) 0.1375(3) 0.16728(18) 0.0363(6) Uani 1 1 d . . . . .
H27 H 0.763448 0.101219 0.122960 0.044 Uiso 1 1 calc R U . . .
C28 C 0.6201(3) 0.0464(3) 0.20234(18) 0.0345(6) Uani 1 1 d . . . . .
H28 H 0.604943 -0.050630 0.181582 0.041 Uiso 1 1 calc R U . . .
C29 C 0.5473(3) 0.0959(3) 0.26768(17) 0.0305(6) Uani 1 1 d . . . . .
H29 H 0.483265 0.033666 0.292319 0.037 Uiso 1 1 calc R U . . .
C30 C 0.5711(3) 0.2386(3) 0.29575(16) 0.0255(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
O1 C2 1.466(4) . ?
O1 C3 1.319(3) . ?
O2 C3 1.202(3) . ?
O3 C6 1.209(3) . ?
O4 C10 1.364(3) . ?
O4 C13 1.427(4) . ?
O5 C4 1.380(3) . ?
O5 C16 1.372(3) . ?
O6 C16 1.193(3) . ?
O7 C17 1.215(3) . ?
N1 C17 1.364(3) . ?
N1 C18 1.456(3) . ?
N1 C25 1.411(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.458(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.493(4) . ?
C4 C5 1.339(3) . ?
C5 C6 1.516(3) . ?
C5 C14 1.520(3) . ?
C6 C7 1.479(4) . ?
C7 C8 1.403(3) . ?
C7 C12 1.392(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.376(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.391(4) . ?
C10 C11 1.390(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(4) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.542(3) . ?
C14 C17 1.553(3) . ?
C14 C30 1.510(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.498(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.512(4) . ?
C19 C20 1.390(3) . ?
C19 C24 1.389(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.379(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.384(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.383(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(4) . ?
C25 C30 1.392(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.390(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.387(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.392(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.388(4) . ?

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
C3 O1 C2 116.7(2) . . ?
C10 O4 C13 117.8(2) . . ?
C16 O5 C4 119.97(19) . . ?
C17 N1 C18 123.1(2) . . ?
C17 N1 C25 111.4(2) . . ?
C25 N1 C18 125.4(2) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
O1 C2 H2A 110.2 . . ?
O1 C2 H2B 110.2 . . ?
C1 C2 O1 107.7(3) . . ?
C1 C2 H2A 110.2 . . ?
C1 C2 H2B 110.2 . . ?
H2A C2 H2B 108.5 . . ?
O1 C3 C4 111.7(2) . . ?
O2 C3 O1 125.2(3) . . ?
O2 C3 C4 123.1(2) . . ?
O5 C4 C3 112.3(2) . . ?
C5 C4 O5 124.5(2) . . ?
C5 C4 C3 123.1(2) . . ?
C4 C5 C6 124.2(2) . . ?
C4 C5 C14 118.1(2) . . ?
C6 C5 C14 117.7(2) . . ?
O3 C6 C5 119.3(2) . . ?
O3 C6 C7 123.1(2) . . ?
C7 C6 C5 117.3(2) . . ?
C8 C7 C6 118.7(2) . . ?
C12 C7 C6 122.9(2) . . ?
C12 C7 C8 118.3(2) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(2) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
O4 C10 C9 115.3(2) . . ?
O4 C10 C11 124.5(3) . . ?
C11 C10 C9 120.2(2) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 C10 118.9(2) . . ?
C12 C11 H11 120.6 . . ?
C7 C12 H12 119.1 . . ?
C11 C12 C7 121.7(2) . . ?
C11 C12 H12 119.1 . . ?
O4 C13 H13A 109.5 . . ?
O4 C13 H13B 109.5 . . ?
O4 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C5 C14 C15 107.05(19) . . ?
C5 C14 C17 109.7(2) . . ?
C15 C14 C17 107.83(19) . . ?
C30 C14 C5 118.9(2) . . ?
C30 C14 C15 110.7(2) . . ?
C30 C14 C17 102.18(19) . . ?
C14 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 C14 111.6(2) . . ?
C16 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
O5 C16 C15 115.8(2) . . ?
O6 C16 O5 118.0(2) . . ?
O6 C16 C15 126.2(2) . . ?
O7 C17 N1 126.6(2) . . ?
O7 C17 C14 125.6(2) . . ?
N1 C17 C14 107.8(2) . . ?
N1 C18 H18A 108.9 . . ?
N1 C18 H18B 108.9 . . ?
N1 C18 C19 113.5(2) . . ?
H18A C18 H18B 107.7 . . ?
C19 C18 H18A 108.9 . . ?
C19 C18 H18B 108.9 . . ?
C20 C19 C18 118.1(2) . . ?
C24 C19 C18 123.3(2) . . ?
C24 C19 C20 118.6(2) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.9(3) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.1(3) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.3(3) . . ?
C23 C24 H24 119.8 . . ?
C26 C25 N1 127.8(2) . . ?
C26 C25 C30 122.2(2) . . ?
C30 C25 N1 109.9(2) . . ?
C25 C26 H26 121.5 . . ?
C25 C26 C27 116.9(3) . . ?
C27 C26 H26 121.5 . . ?
C26 C27 H27 119.1 . . ?
C28 C27 C26 121.8(3) . . ?
C28 C27 H27 119.1 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.6(3) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 121.0 . . ?
C30 C29 C28 118.1(3) . . ?
C30 C29 H29 121.0 . . ?
C25 C30 C14 108.6(2) . . ?
C29 C30 C14 130.7(2) . . ?
C29 C30 C25 120.4(2) . . ?

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
O1 C3 C4 O5 0.1(3) . . . . ?
O1 C3 C4 C5 -176.8(2) . . . . ?
O2 C3 C4 O5 178.4(3) . . . . ?
O2 C3 C4 C5 1.5(4) . . . . ?
O3 C6 C7 C8 -7.4(4) . . . . ?
O3 C6 C7 C12 174.5(2) . . . . ?
O4 C10 C11 C12 -178.5(3) . . . . ?
O5 C4 C5 C6 -178.9(2) . . . . ?
O5 C4 C5 C14 0.8(4) . . . . ?
N1 C18 C19 C20 -159.4(2) . . . . ?
N1 C18 C19 C24 22.1(4) . . . . ?
N1 C25 C26 C27 177.6(3) . . . . ?
N1 C25 C30 C14 -3.6(3) . . . . ?
N1 C25 C30 C29 -177.7(2) . . . . ?
C2 O1 C3 O2 0.2(5) . . . . ?
C2 O1 C3 C4 178.5(3) . . . . ?
C3 O1 C2 C1 -175.7(3) . . . . ?
C3 C4 C5 C6 -2.3(4) . . . . ?
C3 C4 C5 C14 177.3(2) . . . . ?
C4 O5 C16 O6 173.4(2) . . . . ?
C4 O5 C16 C15 -8.2(3) . . . . ?
C4 C5 C6 O3 -94.5(3) . . . . ?
C4 C5 C6 C7 92.0(3) . . . . ?
C4 C5 C14 C15 33.0(3) . . . . ?
C4 C5 C14 C17 -83.7(3) . . . . ?
C4 C5 C14 C30 159.3(2) . . . . ?
C5 C6 C7 C8 165.8(2) . . . . ?
C5 C6 C7 C12 -12.3(4) . . . . ?
C5 C14 C15 C16 -53.3(3) . . . . ?
C5 C14 C17 O7 54.6(3) . . . . ?
C5 C14 C17 N1 -127.3(2) . . . . ?
C5 C14 C30 C25 123.2(2) . . . . ?
C5 C14 C30 C29 -63.6(4) . . . . ?
C6 C5 C14 C15 -147.3(2) . . . . ?
C6 C5 C14 C17 96.0(2) . . . . ?
C6 C5 C14 C30 -21.0(3) . . . . ?
C6 C7 C8 C9 -176.0(2) . . . . ?
C6 C7 C12 C11 176.2(2) . . . . ?
C7 C8 C9 C10 -0.3(4) . . . . ?
C8 C7 C12 C11 -2.0(4) . . . . ?
C8 C9 C10 O4 178.7(2) . . . . ?
C8 C9 C10 C11 -1.9(4) . . . . ?
C9 C10 C11 C12 2.1(4) . . . . ?
C10 C11 C12 C7 -0.2(4) . . . . ?
C12 C7 C8 C9 2.2(4) . . . . ?
C13 O4 C10 C9 -172.6(3) . . . . ?
C13 O4 C10 C11 7.9(4) . . . . ?
C14 C5 C6 O3 85.8(3) . . . . ?
C14 C5 C6 C7 -87.7(3) . . . . ?
C14 C15 C16 O5 43.2(3) . . . . ?
C14 C15 C16 O6 -138.5(3) . . . . ?
C15 C14 C17 O7 -61.7(3) . . . . ?
C15 C14 C17 N1 116.5(2) . . . . ?
C15 C14 C30 C25 -112.3(2) . . . . ?
C15 C14 C30 C29 61.0(3) . . . . ?
C16 O5 C4 C3 167.5(2) . . . . ?
C16 O5 C4 C5 -15.6(3) . . . . ?
C17 N1 C18 C19 -120.7(3) . . . . ?
C17 N1 C25 C26 -173.7(3) . . . . ?
C17 N1 C25 C30 3.6(3) . . . . ?
C17 C14 C15 C16 64.6(3) . . . . ?
C17 C14 C30 C25 2.3(2) . . . . ?
C17 C14 C30 C29 175.6(3) . . . . ?
C18 N1 C17 O7 -0.4(4) . . . . ?
C18 N1 C17 C14 -178.6(2) . . . . ?
C18 N1 C25 C26 2.7(4) . . . . ?
C18 N1 C25 C30 -179.9(2) . . . . ?
C18 C19 C20 C21 -177.4(3) . . . . ?
C18 C19 C24 C23 177.1(3) . . . . ?
C19 C20 C21 C22 -0.4(4) . . . . ?
C20 C19 C24 C23 -1.4(4) . . . . ?
C20 C21 C22 C23 -0.2(4) . . . . ?
C21 C22 C23 C24 -0.1(5) . . . . ?
C22 C23 C24 C19 0.8(5) . . . . ?
C24 C19 C20 C21 1.2(4) . . . . ?
C25 N1 C17 O7 176.1(2) . . . . ?
C25 N1 C17 C14 -2.0(3) . . . . ?
C25 N1 C18 C19 63.3(3) . . . . ?
C25 C26 C27 C28 -0.3(4) . . . . ?
C26 C25 C30 C14 173.9(2) . . . . ?
C26 C25 C30 C29 -0.2(4) . . . . ?
C26 C27 C28 C29 -0.3(4) . . . . ?
C27 C28 C29 C30 0.6(4) . . . . ?
C28 C29 C30 C14 -173.0(2) . . . . ?
C28 C29 C30 C25 -0.4(4) . . . . ?
C30 C14 C15 C16 175.6(2) . . . . ?
C30 C14 C17 O7 -178.3(2) . . . . ?
C30 C14 C17 N1 -0.2(2) . . . . ?
C30 C25 C26 C27 0.5(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
