# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_20200627li_znz8277_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2051617'
loop_
_audit_author_name
_audit_author_address
OV
;Beijing Institute of Radition Medicine
China
;
_audit_update_record             
;
2020-12-21 deposited with the CCDC.	2021-10-29 downloaded from the CCDC.
;
_audit_creation_date             2020-06-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H34 N3 O4, C H4 O, Cl'
_chemical_formula_sum            'C26 H38 Cl N3 O5'
_chemical_formula_weight         508.04
_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 0.0148 0.0070 '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'
Cl Cl 0.3294 0.5404 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 '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                   17.4753(17)
_cell_length_b                   11.4632(11)
_cell_length_c                   26.206(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.650(4)
_cell_angle_gamma                90
_cell_volume                     5175.3(9)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      53.88
_cell_measurement_theta_min      2.98
_shelx_estimated_absorpt_T_max   0.919
_shelx_estimated_absorpt_T_min   0.882
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.3012
_exptl_absorpt_correction_T_min  0.1954
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1241 before and 0.0746 after correction.
The Ratio of minimum to maximum transmission is 0.6487.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.304
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_unetI/netI     0.0315
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33846
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.370
_diffrn_reflns_theta_min         2.976
_diffrn_ambient_temperature      189.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4000
_reflns_number_total             4750
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.280
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4750
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0360
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0365P)²+4.5638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0951
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12), C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B), C9(H9A,H9B), C10(H10A,H10B), C13(H13A,H13B), C14(H14A,H14B),
 C22(H22A,H22B), C23(H23A,H23B), N2(H2C,H2D)
2.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C20(H20), C21(H21), N1(H1)
2.d Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C)
2.e Idealised tetrahedral OH refined as rotating group:
 O5(H5)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
C1 C 0.61530(10) 0.50920(17) 0.50432(7) 0.0421(4) Uani 1 1 d . . . . .
H1A H 0.573536 0.506819 0.473722 0.051 Uiso 1 1 calc R . . . .
H1B H 0.629297 0.427533 0.514022 0.051 Uiso 1 1 calc R . . . .
C2 C 0.68599(11) 0.56834(17) 0.48855(7) 0.0444(4) Uani 1 1 d . . . . .
H2A H 0.699143 0.527203 0.457950 0.053 Uiso 1 1 calc R . . . .
H2B H 0.671711 0.649392 0.477894 0.053 Uiso 1 1 calc R . . . .
C3 C 0.75783(10) 0.57187(15) 0.53002(7) 0.0402(4) Uani 1 1 d . . . . .
H3A H 0.801793 0.604077 0.515095 0.048 Uiso 1 1 calc R . . . .
H3B H 0.748354 0.624239 0.558343 0.048 Uiso 1 1 calc R . . . .
C4 C 0.85492(10) 0.44952(16) 0.58650(7) 0.0383(4) Uani 1 1 d . . . . .
H4A H 0.855500 0.508339 0.614224 0.046 Uiso 1 1 calc R . . . .
H4B H 0.896619 0.469611 0.566697 0.046 Uiso 1 1 calc R . . . .
C5 C 0.87071(10) 0.33000(15) 0.61064(7) 0.0362(4) Uani 1 1 d . . . . .
H5A H 0.865841 0.270799 0.582774 0.043 Uiso 1 1 calc R . . . .
H5B H 0.924767 0.327598 0.629448 0.043 Uiso 1 1 calc R . . . .
C6 C 0.81609(10) 0.29855(14) 0.64776(6) 0.0330(4) Uani 1 1 d . . . . .
H6A H 0.762222 0.296209 0.628622 0.040 Uiso 1 1 calc R . . . .
H6B H 0.818772 0.359712 0.674667 0.040 Uiso 1 1 calc R . . . .
C7 C 0.83592(9) 0.18160(14) 0.67355(6) 0.0326(3) Uani 1 1 d . . . . .
H7A H 0.841985 0.122959 0.646778 0.039 Uiso 1 1 calc R . . . .
H7B H 0.886120 0.187922 0.697334 0.039 Uiso 1 1 calc R . . . .
C8 C 0.77815(9) 0.18408(14) 0.75112(6) 0.0319(3) Uani 1 1 d . . . . .
C9 C 0.71483(10) 0.14790(15) 0.78051(6) 0.0358(4) Uani 1 1 d . . . . .
H9A H 0.683708 0.217674 0.785811 0.043 Uiso 1 1 calc R . . . .
H9B H 0.739281 0.119455 0.815084 0.043 Uiso 1 1 calc R . . . .
C10 C 0.66049(10) 0.05428(15) 0.75473(6) 0.0350(4) Uani 1 1 d . . . . .
H10A H 0.613198 0.052117 0.770878 0.042 Uiso 1 1 calc R . . . .
H10B H 0.686234 -0.022733 0.760049 0.042 Uiso 1 1 calc R . . . .
C11 C 0.63765(9) 0.07781(13) 0.69646(6) 0.0303(3) Uani 1 1 d . . . . .
C12 C 0.71103(9) 0.07797(13) 0.67160(6) 0.0291(3) Uani 1 1 d . . . . .
H12 H 0.698017 0.119093 0.637595 0.035 Uiso 1 1 calc R . . . .
C13 C 0.73551(10) -0.04698(14) 0.66038(7) 0.0348(4) Uani 1 1 d . . . . .
H13A H 0.785358 -0.044784 0.647192 0.042 Uiso 1 1 calc R . . . .
H13B H 0.743445 -0.092721 0.692889 0.042 Uiso 1 1 calc R . . . .
C14 C 0.59385(10) -0.05746(15) 0.61825(7) 0.0383(4) Uani 1 1 d . . . . .
H14A H 0.555651 -0.118540 0.604899 0.046 Uiso 1 1 calc R . . . .
H14B H 0.586603 0.008844 0.593703 0.046 Uiso 1 1 calc R . . . .
C15 C 0.57885(9) -0.01648(14) 0.67103(7) 0.0344(4) Uani 1 1 d . . . . .
H15 H 0.580690 -0.085125 0.694747 0.041 Uiso 1 1 calc R . . . .
C16 C 0.51245(9) 0.15565(14) 0.66882(6) 0.0340(4) Uani 1 1 d . . . . .
C17 C 0.58894(9) 0.18772(14) 0.68554(6) 0.0299(3) Uani 1 1 d . . . . .
C18 C 0.60774(9) 0.30509(14) 0.69013(6) 0.0312(3) Uani 1 1 d . . . . .
H18 H 0.660262 0.327996 0.700659 0.037 Uiso 1 1 calc R . . . .
C19 C 0.54997(9) 0.38986(14) 0.67935(6) 0.0328(4) Uani 1 1 d . . . . .
C20 C 0.47345(10) 0.35372(16) 0.66360(7) 0.0396(4) Uani 1 1 d . . . . .
H20 H 0.433700 0.410915 0.656805 0.047 Uiso 1 1 calc R . . . .
C21 C 0.45353(10) 0.23606(16) 0.65754(7) 0.0396(4) Uani 1 1 d . . . . .
H21 H 0.401384 0.212386 0.646074 0.048 Uiso 1 1 calc R . . . .
C22 C 0.57096(10) 0.51770(14) 0.68540(7) 0.0366(4) Uani 1 1 d . . . . .
H22A H 0.625446 0.523905 0.703192 0.044 Uiso 1 1 calc R . . . .
H22B H 0.537806 0.554183 0.708103 0.044 Uiso 1 1 calc R . . . .
C23 C 0.56241(10) 0.58747(15) 0.63495(7) 0.0388(4) Uani 1 1 d . . . . .
H23A H 0.506930 0.589766 0.618963 0.047 Uiso 1 1 calc R . . . .
H23B H 0.579619 0.668693 0.642950 0.047 Uiso 1 1 calc R . . . .
C24 C 0.67488(10) -0.10564(15) 0.62113(7) 0.0379(4) Uani 1 1 d . . . . .
C25 C 0.60877(9) 0.53668(14) 0.59668(7) 0.0342(4) Uani 1 1 d . . . . .
N1 N 0.58433(8) 0.56329(13) 0.54685(5) 0.0384(3) Uani 1 1 d . . . . .
H1 H 0.547663 0.616196 0.539424 0.046 Uiso 1 1 calc R . . . .
N2 N 0.77875(8) 0.45350(12) 0.55145(5) 0.0328(3) Uani 1 1 d . . . . .
H2C H 0.741196 0.428760 0.569139 0.039 Uiso 1 1 calc R . . . .
H2D H 0.779872 0.403130 0.524746 0.039 Uiso 1 1 calc R . . . .
N3 N 0.77603(7) 0.14180(11) 0.70274(5) 0.0298(3) Uani 1 1 d . . . . .
O1 O 0.66575(7) 0.47373(11) 0.61123(5) 0.0401(3) Uani 1 1 d . . . . .
O2 O 0.83024(7) 0.25078(10) 0.77116(4) 0.0386(3) Uani 1 1 d . . . . .
O3 O 0.69031(8) -0.18410(12) 0.59367(6) 0.0537(4) Uani 1 1 d . . . . .
O4 O 0.50201(7) 0.03656(10) 0.66496(5) 0.0392(3) Uani 1 1 d . . . . .
C26 C 0.53043(13) 0.8236(2) 0.48594(9) 0.0639(6) Uani 1 1 d . . . . .
H26A H 0.523055 0.792308 0.450650 0.096 Uiso 1 1 calc GR . . . .
H26B H 0.585230 0.816949 0.501672 0.096 Uiso 1 1 calc GR . . . .
H26C H 0.514851 0.905763 0.484906 0.096 Uiso 1 1 calc GR . . . .
O5 O 0.48504(8) 0.76034(13) 0.51531(6) 0.0553(4) Uani 1 1 d . . . . .
H5 H 0.438055 0.766186 0.501880 0.083 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.32224(3) 0.82148(4) 0.45904(2) 0.04235(13) 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
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.526(3) . ?
C1 N1 1.457(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.517(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 N2 1.490(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.515(2) . ?
C4 N2 1.486(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.516(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.515(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 N3 1.469(2) . ?
C8 C9 1.509(2) . ?
C8 N3 1.352(2) . ?
C8 O2 1.236(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.515(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.536(2) . ?
C11 C12 1.533(2) . ?
C11 C15 1.562(2) . ?
C11 C17 1.521(2) . ?
C12 H12 1.0000 . ?
C12 C13 1.537(2) . ?
C12 N3 1.477(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C24 1.506(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.524(2) . ?
C14 C24 1.510(2) . ?
C15 H15 1.0000 . ?
C15 O4 1.458(2) . ?
C16 C17 1.385(2) . ?
C16 C21 1.377(2) . ?
C16 O4 1.379(2) . ?
C17 C18 1.385(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(2) . ?
C19 C20 1.395(2) . ?
C19 C22 1.513(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.395(3) . ?
C21 H21 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.531(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C25 1.508(2) . ?
C24 O3 1.210(2) . ?
C25 N1 1.339(2) . ?
C25 O1 1.237(2) . ?
N1 H1 0.8800 . ?
N2 H2C 0.9100 . ?
N2 H2D 0.9100 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C26 O5 1.397(2) . ?
O5 H5 0.8400 . ?

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
H1A C1 H1B 107.4 . . ?
C2 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
N1 C1 H1A 108.3 . . ?
N1 C1 H1B 108.3 . . ?
N1 C1 C2 116.08(16) . . ?
C1 C2 H2A 108.4 . . ?
C1 C2 H2B 108.4 . . ?
H2A C2 H2B 107.5 . . ?
C3 C2 C1 115.36(15) . . ?
C3 C2 H2A 108.4 . . ?
C3 C2 H2B 108.4 . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
N2 C3 C2 111.53(15) . . ?
N2 C3 H3A 109.3 . . ?
N2 C3 H3B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
C5 C4 H4A 109.3 . . ?
C5 C4 H4B 109.3 . . ?
N2 C4 H4A 109.3 . . ?
N2 C4 H4B 109.3 . . ?
N2 C4 C5 111.56(14) . . ?
C4 C5 H5A 109.0 . . ?
C4 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
C6 C5 C4 113.13(14) . . ?
C6 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
C5 C6 H6A 109.2 . . ?
C5 C6 H6B 109.2 . . ?
C5 C6 C7 112.03(14) . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 H6A 109.2 . . ?
C7 C6 H6B 109.2 . . ?
C6 C7 H7A 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
N3 C7 C6 112.18(13) . . ?
N3 C7 H7A 109.2 . . ?
N3 C7 H7B 109.2 . . ?
N3 C8 C9 118.24(14) . . ?
O2 C8 C9 120.26(15) . . ?
O2 C8 N3 121.50(15) . . ?
C8 C9 H9A 108.5 . . ?
C8 C9 H9B 108.5 . . ?
C8 C9 C10 115.19(14) . . ?
H9A C9 H9B 107.5 . . ?
C10 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C9 C10 C11 110.98(13) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C10 C11 C15 110.22(13) . . ?
C12 C11 C10 109.04(13) . . ?
C12 C11 C15 110.92(13) . . ?
C17 C11 C10 112.12(13) . . ?
C17 C11 C12 113.63(13) . . ?
C17 C11 C15 100.70(12) . . ?
C11 C12 H12 107.3 . . ?
C11 C12 C13 111.07(13) . . ?
C13 C12 H12 107.3 . . ?
N3 C12 C11 112.75(12) . . ?
N3 C12 H12 107.3 . . ?
N3 C12 C13 110.76(13) . . ?
C12 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C24 C13 C12 111.12(14) . . ?
C24 C13 H13A 109.4 . . ?
C24 C13 H13B 109.4 . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C24 C14 H14A 109.3 . . ?
C24 C14 H14B 109.3 . . ?
C24 C14 C15 111.70(14) . . ?
C11 C15 H15 109.2 . . ?
C14 C15 C11 113.55(13) . . ?
C14 C15 H15 109.2 . . ?
O4 C15 C11 106.61(12) . . ?
O4 C15 C14 108.96(13) . . ?
O4 C15 H15 109.2 . . ?
C21 C16 C17 122.53(16) . . ?
C21 C16 O4 124.21(15) . . ?
O4 C16 C17 113.26(14) . . ?
C16 C17 C11 108.65(14) . . ?
C16 C17 C18 119.18(15) . . ?
C18 C17 C11 132.16(15) . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.37(15) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 C22 119.93(15) . . ?
C20 C19 C18 118.57(15) . . ?
C20 C19 C22 121.50(15) . . ?
C19 C20 H20 119.0 . . ?
C19 C20 C21 121.96(16) . . ?
C21 C20 H20 119.0 . . ?
C16 C21 C20 117.35(16) . . ?
C16 C21 H21 121.3 . . ?
C20 C21 H21 121.3 . . ?
C19 C22 H22A 108.4 . . ?
C19 C22 H22B 108.4 . . ?
C19 C22 C23 115.39(14) . . ?
H22A C22 H22B 107.5 . . ?
C23 C22 H22A 108.4 . . ?
C23 C22 H22B 108.4 . . ?
C22 C23 H23A 109.0 . . ?
C22 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C25 C23 C22 112.78(14) . . ?
C25 C23 H23A 109.0 . . ?
C25 C23 H23B 109.0 . . ?
C13 C24 C14 114.67(14) . . ?
O3 C24 C13 122.46(16) . . ?
O3 C24 C14 122.86(16) . . ?
N1 C25 C23 116.20(15) . . ?
O1 C25 C23 120.98(15) . . ?
O1 C25 N1 122.82(16) . . ?
C1 N1 H1 118.3 . . ?
C25 N1 C1 123.39(15) . . ?
C25 N1 H1 118.3 . . ?
C3 N2 H2C 108.9 . . ?
C3 N2 H2D 108.9 . . ?
C4 N2 C3 113.49(13) . . ?
C4 N2 H2C 108.9 . . ?
C4 N2 H2D 108.9 . . ?
H2C N2 H2D 107.7 . . ?
C7 N3 C12 114.54(12) . . ?
C8 N3 C7 117.85(13) . . ?
C8 N3 C12 126.40(13) . . ?
C16 O4 C15 107.26(12) . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O5 C26 H26A 109.5 . . ?
O5 C26 H26B 109.5 . . ?
O5 C26 H26C 109.5 . . ?
C26 O5 H5 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
