# 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. 
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data_4062
_database_code_depnum_ccdc_archive 'CCDC 2502003'
loop_
_audit_author_name
_audit_author_address
'shengxin Wang'
;Nanjing Tech University
China
;
_audit_update_record             
;
2025-11-11 deposited with the CCDC.	2026-03-10 downloaded from the CCDC.
;
_audit_creation_date             2024-09-27
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H26 N2 O11'
_chemical_formula_sum            'C25 H26 N2 O11'
_chemical_formula_weight         530.48
_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      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                   7.5470(4)
_cell_length_b                   11.1144(7)
_cell_length_c                   16.8902(10)
_cell_angle_alpha                71.305(3)
_cell_angle_beta                 87.165(2)
_cell_angle_gamma                73.744(2)
_cell_volume                     1287.09(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3251
_cell_measurement_temperature    303.10
_cell_measurement_theta_max      56.714
_cell_measurement_theta_min      5.535
_shelx_estimated_absorpt_T_max   0.913
_shelx_estimated_absorpt_T_min   0.874
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.753056
_exptl_absorpt_correction_T_min  0.549501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1264 before and 0.0824 after correction.
 
For component 2:
 wR2(int) was 0.1207 before and 0.0774 after correction.
 The Ratio of minimum to maximum transmission is 0.73.

Final HKLF 4 output contains 34203 reflections, Rint = 0.0944
 (16236 with I > 3sig(I), Rint = 0.0885)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.15
_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  0.0885
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            4461
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        66.561
_diffrn_reflns_theta_max         66.561
_diffrn_reflns_theta_min         2.764
_diffrn_ambient_temperature      303.10
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3221
_reflns_number_total             4461
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.535
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         4461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1201
_refine_ls_R_factor_gt           0.0958
_refine_ls_restrained_S_all      1.171
_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)+(0.1796P)²+0.3993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2923
_refine_ls_wR_factor_ref         0.3188
_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:
 C11(H11), C12(H12), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C14(H14A,H14B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C19(H19), C20(H20), C22(H22), C23(H23)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C16(H16A,H16B,H16C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.2726(7) 0.6887(5) -0.1381(2) 0.1471(17) Uani 1 1 d . . . . .
O2 O 0.1487(7) 0.8940(5) -0.1524(2) 0.1539(18) Uani 1 1 d . . . . .
O3 O 0.2453(6) 0.7552(3) 0.2752(2) 0.1324(15) Uani 1 1 d . . . . .
O4 O 0.3839(4) 0.5468(2) 0.28370(16) 0.0802(8) Uani 1 1 d . . . . .
O5 O 0.4924(4) 0.3231(3) 0.49745(14) 0.0785(8) Uani 1 1 d . . . . .
O6 O 0.2517(5) 0.3040(3) 0.25629(18) 0.1119(12) Uani 1 1 d . . . . .
O7 O 0.4047(3) 0.1749(2) 0.37647(13) 0.0674(7) Uani 1 1 d . . . . .
O8 O 0.2453(3) 0.2718(2) 0.63172(13) 0.0694(7) Uani 1 1 d . . . . .
O9 O 0.0547(4) 0.4710(2) 0.62113(15) 0.0860(8) Uani 1 1 d . . . . .
O10 O 0.3468(7) 0.1288(4) 1.0535(2) 0.1454(17) Uani 1 1 d . . . . .
O11 O 0.2138(8) 0.3277(4) 1.0440(2) 0.1524(18) Uani 1 1 d . . . . .
N1 N 0.2159(7) 0.7785(5) -0.1098(3) 0.1152(14) Uani 1 1 d . . . . .
N2 N 0.2707(6) 0.2406(4) 1.0133(2) 0.0940(11) Uani 1 1 d . . . . .
C1 C 0.2790(5) 0.6959(3) 0.1502(3) 0.0761(10) Uani 1 1 d . . . . .
C2 C 0.2125(7) 0.8241(4) 0.0991(3) 0.0958(13) Uani 1 1 d . . . . .
H2 H 0.180533 0.892537 0.122092 0.115 Uiso 1 1 calc R U . . .
C3 C 0.1926(7) 0.8524(4) 0.0138(3) 0.0993(14) Uani 1 1 d . . . . .
H3 H 0.149972 0.939310 -0.021180 0.119 Uiso 1 1 calc R U . . .
C4 C 0.2371(6) 0.7496(4) -0.0184(3) 0.0870(11) Uani 1 1 d . . . . .
C5 C 0.3002(7) 0.6198(4) 0.0320(3) 0.0931(13) Uani 1 1 d . . . . .
H5 H 0.327304 0.551301 0.009108 0.112 Uiso 1 1 calc R U . . .
C6 C 0.3222(6) 0.5937(4) 0.1165(3) 0.0835(11) Uani 1 1 d . . . . .
H6 H 0.366393 0.506765 0.151332 0.100 Uiso 1 1 calc R U . . .
C7 C 0.3001(6) 0.6711(4) 0.2425(3) 0.0784(10) Uani 1 1 d . . . . .
C8 C 0.4046(6) 0.5116(4) 0.3736(2) 0.0767(10) Uani 1 1 d . . . . .
H8A H 0.285899 0.537875 0.397239 0.092 Uiso 1 1 calc R U . . .
H8B H 0.487177 0.554782 0.388340 0.092 Uiso 1 1 calc R U . . .
C9 C 0.4844(5) 0.3628(4) 0.4059(2) 0.0697(9) Uani 1 1 d . . . . .
C10 C 0.6715(6) 0.3142(4) 0.3724(3) 0.0843(11) Uani 1 1 d . . . . .
H10A H 0.753102 0.361512 0.381445 0.126 Uiso 1 1 calc R U . . .
H10B H 0.657934 0.328799 0.313561 0.126 Uiso 1 1 calc R U . . .
H10C H 0.722129 0.221334 0.400978 0.126 Uiso 1 1 calc R U . . .
C11 C 0.3448(5) 0.2838(3) 0.40864(19) 0.0625(8) Uani 1 1 d . . . . .
H11 H 0.220825 0.340482 0.387320 0.075 Uiso 1 1 calc R U . . .
C12 C 0.3682(5) 0.2422(3) 0.5037(2) 0.0683(9) Uani 1 1 d . . . . .
H12 H 0.429561 0.147601 0.528676 0.082 Uiso 1 1 calc R U . . .
C13 C 0.1922(5) 0.2864(4) 0.54568(19) 0.0693(9) Uani 1 1 d . . . . .
H13 H 0.137018 0.380732 0.516566 0.083 Uiso 1 1 calc R U . . .
C14 C 0.0478(6) 0.2164(4) 0.5480(2) 0.0856(11) Uani 1 1 d . . . . .
H14A H -0.065876 0.265594 0.565735 0.103 Uiso 1 1 calc R U . . .
H14B H 0.024525 0.218400 0.491603 0.103 Uiso 1 1 calc R U . . .
C15 C 0.0921(7) 0.0776(5) 0.6032(3) 0.1055(15) Uani 1 1 d . . . . .
H15A H 0.130422 0.073115 0.658333 0.127 Uiso 1 1 calc R U . . .
H15B H 0.195361 0.024957 0.581317 0.127 Uiso 1 1 calc R U . . .
C16 C -0.0692(8) 0.0180(6) 0.6116(4) 0.126(2) Uani 1 1 d . . . . .
H16A H -0.117359 0.031306 0.556913 0.188 Uiso 1 1 calc R U . . .
H16B H -0.164351 0.060084 0.641677 0.188 Uiso 1 1 calc R U . . .
H16C H -0.027691 -0.075086 0.641380 0.188 Uiso 1 1 calc R U . . .
C17 C 0.1563(5) 0.3673(3) 0.6623(2) 0.0624(8) Uani 1 1 d . . . . .
C18 C 0.1959(4) 0.3327(3) 0.75357(19) 0.0596(8) Uani 1 1 d . . . . .
C19 C 0.2947(6) 0.2073(3) 0.8015(2) 0.0739(10) Uani 1 1 d . . . . .
H19 H 0.344096 0.143020 0.776175 0.089 Uiso 1 1 calc R U . . .
C20 C 0.3207(6) 0.1769(4) 0.8864(2) 0.0808(11) Uani 1 1 d . . . . .
H20 H 0.386929 0.092654 0.919057 0.097 Uiso 1 1 calc R U . . .
C21 C 0.2458(5) 0.2746(4) 0.9219(2) 0.0714(9) Uani 1 1 d . . . . .
C22 C 0.1503(6) 0.4001(4) 0.8765(2) 0.0777(10) Uani 1 1 d . . . . .
H22 H 0.104044 0.464462 0.902119 0.093 Uiso 1 1 calc R U . . .
C23 C 0.1244(5) 0.4288(3) 0.7915(2) 0.0727(10) Uani 1 1 d . . . . .
H23 H 0.058389 0.513411 0.759228 0.087 Uiso 1 1 calc R U . . .
C24 C 0.3504(6) 0.2008(4) 0.2964(2) 0.0733(10) Uani 1 1 d . . . . .
C25 C 0.4339(7) 0.0853(4) 0.2658(3) 0.0887(12) Uani 1 1 d . . . . .
H25A H 0.557047 0.085761 0.248800 0.133 Uiso 1 1 calc R U . . .
H25B H 0.360293 0.091756 0.219116 0.133 Uiso 1 1 calc R U . . .
H25C H 0.437858 0.004559 0.310040 0.133 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 N1 1.206(6) . ?
O2 N1 1.225(6) . ?
O3 C7 1.201(5) . ?
O4 C7 1.316(4) . ?
O4 C8 1.446(4) . ?
O5 C9 1.466(4) . ?
O5 C12 1.449(4) . ?
O6 C24 1.184(4) . ?
O7 C11 1.433(3) . ?
O7 C24 1.349(4) . ?
O8 C13 1.473(3) . ?
O8 C17 1.327(4) . ?
O9 C17 1.202(4) . ?
O10 N2 1.197(5) . ?
O11 N2 1.206(5) . ?
N1 C4 1.481(6) . ?
N2 C21 1.475(4) . ?
C1 C2 1.372(5) . ?
C1 C6 1.382(5) . ?
C1 C7 1.501(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.379(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.370(6) . ?
C4 C5 1.378(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.371(6) . ?
C6 H6 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.514(5) . ?
C9 C10 1.515(5) . ?
C9 C11 1.540(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11 0.9800 . ?
C11 C12 1.526(4) . ?
C12 H12 0.9800 . ?
C12 C13 1.507(5) . ?
C13 H13 0.9800 . ?
C13 C14 1.499(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.477(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.522(7) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.489(4) . ?
C18 C19 1.382(5) . ?
C18 C23 1.386(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.374(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.378(5) . ?
C21 C22 1.363(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.500(5) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 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
C7 O4 C8 116.9(3) . . ?
C12 O5 C9 92.0(2) . . ?
C24 O7 C11 115.5(2) . . ?
C17 O8 C13 117.0(2) . . ?
O1 N1 O2 124.1(5) . . ?
O1 N1 C4 118.4(4) . . ?
O2 N1 C4 117.5(5) . . ?
O10 N2 O11 123.1(4) . . ?
O10 N2 C21 118.9(3) . . ?
O11 N2 C21 118.0(4) . . ?
C2 C1 C6 120.0(4) . . ?
C2 C1 C7 118.2(3) . . ?
C6 C1 C7 121.8(3) . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.5(4) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.7 . . ?
C4 C3 C2 118.6(4) . . ?
C4 C3 H3 120.7 . . ?
C3 C4 N1 119.1(4) . . ?
C3 C4 C5 121.9(4) . . ?
C5 C4 N1 119.0(4) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 C4 118.7(4) . . ?
C6 C5 H5 120.6 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.3(4) . . ?
C5 C6 H6 119.9 . . ?
O3 C7 O4 123.6(4) . . ?
O3 C7 C1 123.8(4) . . ?
O4 C7 C1 112.6(3) . . ?
O4 C8 H8A 110.5 . . ?
O4 C8 H8B 110.5 . . ?
O4 C8 C9 106.1(3) . . ?
H8A C8 H8B 108.7 . . ?
C9 C8 H8A 110.5 . . ?
C9 C8 H8B 110.5 . . ?
O5 C9 C8 107.2(3) . . ?
O5 C9 C10 111.6(3) . . ?
O5 C9 C11 90.3(2) . . ?
C8 C9 C10 113.6(3) . . ?
C8 C9 C11 114.8(3) . . ?
C10 C9 C11 116.6(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O7 C11 C9 116.1(3) . . ?
O7 C11 H11 112.9 . . ?
O7 C11 C12 113.2(2) . . ?
C9 C11 H11 112.9 . . ?
C12 C11 C9 86.2(2) . . ?
C12 C11 H11 112.9 . . ?
O5 C12 C11 91.4(3) . . ?
O5 C12 H12 112.4 . . ?
O5 C12 C13 113.1(3) . . ?
C11 C12 H12 112.4 . . ?
C13 C12 C11 113.6(3) . . ?
C13 C12 H12 112.4 . . ?
O8 C13 C12 106.9(3) . . ?
O8 C13 H13 107.8 . . ?
O8 C13 C14 109.4(3) . . ?
C12 C13 H13 107.8 . . ?
C14 C13 C12 116.9(3) . . ?
C14 C13 H13 107.8 . . ?
C13 C14 H14A 108.3 . . ?
C13 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
C15 C14 C13 116.0(3) . . ?
C15 C14 H14A 108.3 . . ?
C15 C14 H14B 108.3 . . ?
C14 C15 H15A 108.9 . . ?
C14 C15 H15B 108.9 . . ?
C14 C15 C16 113.3(4) . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O8 C17 C18 112.8(3) . . ?
O9 C17 O8 124.0(3) . . ?
O9 C17 C18 123.1(3) . . ?
C19 C18 C17 122.0(3) . . ?
C19 C18 C23 119.6(3) . . ?
C23 C18 C17 118.4(3) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.5(3) . . ?
C20 C19 H19 119.7 . . ?
C19 C20 H20 120.9 . . ?
C19 C20 C21 118.2(3) . . ?
C21 C20 H20 120.9 . . ?
C20 C21 N2 117.9(3) . . ?
C22 C21 N2 119.1(3) . . ?
C22 C21 C20 123.0(3) . . ?
C21 C22 H22 120.9 . . ?
C21 C22 C23 118.1(3) . . ?
C23 C22 H22 120.9 . . ?
C18 C23 H23 119.7 . . ?
C22 C23 C18 120.6(3) . . ?
C22 C23 H23 119.7 . . ?
O6 C24 O7 122.7(3) . . ?
O6 C24 C25 125.6(3) . . ?
O7 C24 C25 111.6(3) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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
O1 N1 C4 C3 172.8(5) . . . . ?
O1 N1 C4 C5 -7.6(8) . . . . ?
O2 N1 C4 C3 -4.1(8) . . . . ?
O2 N1 C4 C5 175.5(5) . . . . ?
O4 C8 C9 O5 -175.4(3) . . . . ?
O4 C8 C9 C10 60.9(4) . . . . ?
O4 C8 C9 C11 -76.8(4) . . . . ?
O5 C9 C11 O7 -116.5(3) . . . . ?
O5 C9 C11 C12 -2.4(2) . . . . ?
O5 C12 C13 O8 -62.5(3) . . . . ?
O5 C12 C13 C14 174.6(3) . . . . ?
O7 C11 C12 O5 119.3(3) . . . . ?
O7 C11 C12 C13 -124.7(3) . . . . ?
O8 C13 C14 C15 -51.8(4) . . . . ?
O8 C17 C18 C19 -8.2(5) . . . . ?
O8 C17 C18 C23 174.3(3) . . . . ?
O9 C17 C18 C19 171.9(4) . . . . ?
O9 C17 C18 C23 -5.6(5) . . . . ?
O10 N2 C21 C20 -3.4(7) . . . . ?
O10 N2 C21 C22 176.4(5) . . . . ?
O11 N2 C21 C20 176.2(5) . . . . ?
O11 N2 C21 C22 -3.9(7) . . . . ?
N1 C4 C5 C6 179.0(4) . . . . ?
N2 C21 C22 C23 -178.3(4) . . . . ?
C1 C2 C3 C4 1.3(8) . . . . ?
C2 C1 C6 C5 0.5(7) . . . . ?
C2 C1 C7 O3 7.6(7) . . . . ?
C2 C1 C7 O4 -172.8(4) . . . . ?
C2 C3 C4 N1 179.8(4) . . . . ?
C2 C3 C4 C5 0.2(8) . . . . ?
C3 C4 C5 C6 -1.3(7) . . . . ?
C4 C5 C6 C1 1.0(7) . . . . ?
C6 C1 C2 C3 -1.7(7) . . . . ?
C6 C1 C7 O3 -171.5(5) . . . . ?
C6 C1 C7 O4 8.1(6) . . . . ?
C7 O4 C8 C9 173.8(3) . . . . ?
C7 C1 C2 C3 179.2(4) . . . . ?
C7 C1 C6 C5 179.6(4) . . . . ?
C8 O4 C7 O3 1.9(6) . . . . ?
C8 O4 C7 C1 -177.7(3) . . . . ?
C8 C9 C11 O7 134.3(3) . . . . ?
C8 C9 C11 C12 -111.6(3) . . . . ?
C9 O5 C12 C11 -2.5(2) . . . . ?
C9 O5 C12 C13 -119.1(3) . . . . ?
C9 C11 C12 O5 2.4(2) . . . . ?
C9 C11 C12 C13 118.5(3) . . . . ?
C10 C9 C11 O7 -2.1(4) . . . . ?
C10 C9 C11 C12 112.0(3) . . . . ?
C11 O7 C24 O6 -3.9(6) . . . . ?
C11 O7 C24 C25 174.7(3) . . . . ?
C11 C12 C13 O8 -165.0(3) . . . . ?
C11 C12 C13 C14 72.1(4) . . . . ?
C12 O5 C9 C8 118.7(3) . . . . ?
C12 O5 C9 C10 -116.3(3) . . . . ?
C12 O5 C9 C11 2.5(2) . . . . ?
C12 C13 C14 C15 69.8(4) . . . . ?
C13 O8 C17 O9 -10.1(5) . . . . ?
C13 O8 C17 C18 170.0(3) . . . . ?
C13 C14 C15 C16 172.5(4) . . . . ?
C17 O8 C13 C12 139.3(3) . . . . ?
C17 O8 C13 C14 -93.3(4) . . . . ?
C17 C18 C19 C20 -176.6(4) . . . . ?
C17 C18 C23 C22 177.2(3) . . . . ?
C18 C19 C20 C21 -0.1(6) . . . . ?
C19 C18 C23 C22 -0.3(6) . . . . ?
C19 C20 C21 N2 178.7(4) . . . . ?
C19 C20 C21 C22 -1.1(7) . . . . ?
C20 C21 C22 C23 1.6(6) . . . . ?
C21 C22 C23 C18 -0.8(6) . . . . ?
C23 C18 C19 C20 0.8(6) . . . . ?
C24 O7 C11 C9 -96.6(3) . . . . ?
C24 O7 C11 C12 165.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
