# Electronic Supplementary Material (ESI) 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_tx15307
_database_code_depnum_ccdc_archive 'CCDC 2348892'
loop_
_audit_author_name
_audit_author_address
'xuefeng zhu'
;Institute of Chemistry, CAS
China
;
_audit_update_record             
;
2024-04-17 deposited with the CCDC.	2024-05-27 downloaded from the CCDC.
;
_audit_creation_date             2024-02-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H25 N O5'
_chemical_formula_sum            'C26 H25 N O5'
_chemical_formula_weight         431.47
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHNO
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   5.0705(2)
_cell_length_b                   19.7168(7)
_cell_length_c                   21.8610(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2185.53(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3893
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      74.0770
_cell_measurement_theta_min      2.9990
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45491
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.96a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            12326
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         81.966
_diffrn_reflns_theta_min         3.018
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -52.00   0.50    2.00    --  -46.42-157.00-162.00  134
  2  ω     58.00 119.00   0.50    2.00    --   46.42 157.00-126.00  122
  3  ω   -106.00 -31.00   0.50   10.00    -- -104.50  91.00-174.00  150
  4  ω   -174.00 -90.00   0.50   10.00    -- -104.50 -33.00-149.00  168
  5  ω     40.00 110.00   0.50   10.00    --  108.85-119.00  -7.00  140
  6  ω    -23.00  29.00   0.50    2.00    --  -46.42  19.00-150.00  104
  7  ω    -22.00  24.00   0.50    2.00    --  -46.42  19.00 -90.00   92
  8  ω    -90.00 -34.00   0.50   10.00    -- -104.50 125.00  60.00  112
  9  ω    -66.00 -32.00   0.50   10.00    -- -104.50  61.00 150.00   68
 10  ω   -174.00-144.00   0.50   10.00    -- -104.50 -94.00  60.00   60
 11  ω   -173.00-147.00   0.50   10.00    -- -104.50 -15.00 120.00   52
 12  ω   -119.00 -93.00   0.50   10.00    -- -104.50 -15.00 120.00   52
 13  ω   -111.00 -85.00   0.50   10.00    -- -104.50 -94.00  60.00   52
 14  ω     78.00 105.00   0.50   10.00    --  108.85 -94.00-120.00   54
 15  ω     36.00  61.00   0.50   10.00    --  108.85 -61.00 120.00   50
 16  ω     39.00 106.00   0.50   10.00    --  108.85 -77.00 150.00  134
 17  ω     38.00  64.00   0.50   10.00    --  108.85 -61.00 -90.00   52
 18  ω     36.00  74.00   0.50   10.00    --  108.85 -61.00 -30.00   76
 19  ω     37.00  73.00   0.50   10.00    --  108.85 -61.00-120.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.2464911000
_diffrn_orient_matrix_UB_12      -0.0117273000
_diffrn_orient_matrix_UB_13      -0.0399229000
_diffrn_orient_matrix_UB_21      -0.1748748000
_diffrn_orient_matrix_UB_22      0.0296208000
_diffrn_orient_matrix_UB_23      0.0510402000
_diffrn_orient_matrix_UB_31      0.0320600000
_diffrn_orient_matrix_UB_32      0.0713130000
_diffrn_orient_matrix_UB_33      -0.0277088000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet R (Cu) X-ray Source'
_reflns_Friedel_coverage         0.691
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.888
_reflns_number_gt                3622
_reflns_number_total             4400
_reflns_odcompleteness_completeness 98.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_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       'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_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         0.380
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.076
_refine_ls_abs_structure_details 
;
 Flack x determined using 1177 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.1(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4400
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0646
_refine_ls_restrained_S_all      1.088
_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)+(0.0902P)²+0.7078P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1630
_refine_ls_wR_factor_ref         0.1788
_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
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C22(H22A,H22B), C23(H23A,H23B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C12(H12),
 C13(H13)
2.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), 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
O1 O 1.0123(6) 0.73746(17) 0.73830(17) 0.0446(9) Uani 1 1 d . . . . .
O2 O 0.5446(10) 0.7529(2) 0.8709(2) 0.0697(13) Uani 1 1 d . . . . .
O3 O 0.7799(8) 0.66162(18) 0.89394(17) 0.0535(10) Uani 1 1 d . . . . .
O4 O -0.0221(7) 0.52263(17) 0.7753(2) 0.0535(10) Uani 1 1 d . . . . .
O5 O 0.1705(8) 0.47890(18) 0.69301(15) 0.0501(9) Uani 1 1 d . . . . .
N1 N 0.5786(6) 0.71841(18) 0.74718(18) 0.0331(8) Uani 1 1 d . . . . .
H1 H 0.419439 0.727159 0.733230 0.040 Uiso 1 1 calc R U . . .
C1 C 0.7195(8) 0.8116(2) 0.6845(2) 0.0303(9) Uani 1 1 d . . . . .
C2 C 0.5204(8) 0.8555(2) 0.7025(2) 0.0341(9) Uani 1 1 d . . . . .
H2 H 0.427671 0.846544 0.739410 0.041 Uiso 1 1 calc R U . . .
C3 C 0.4528(9) 0.9120(2) 0.6685(2) 0.0357(10) Uani 1 1 d . . . . .
H3 H 0.321002 0.942127 0.683063 0.043 Uiso 1 1 calc R U . . .
C4 C 0.5768(8) 0.9248(2) 0.6129(2) 0.0329(9) Uani 1 1 d . . . . .
C5 C 0.5034(9) 0.9811(2) 0.5749(2) 0.0388(10) Uani 1 1 d . . . . .
H5 H 0.368460 1.011139 0.588233 0.047 Uiso 1 1 calc R U . . .
C6 C 0.6220(11) 0.9922(2) 0.5209(2) 0.0422(11) Uani 1 1 d . . . . .
H6 H 0.565820 1.029171 0.496293 0.051 Uiso 1 1 calc R U . . .
C7 C 0.8307(10) 0.9497(2) 0.4996(2) 0.0379(10) Uani 1 1 d . . . . .
C8 C 0.9577(11) 0.9603(3) 0.4432(2) 0.0478(12) Uani 1 1 d . . . . .
H8 H 0.904106 0.997017 0.417870 0.057 Uiso 1 1 calc R U . . .
C9 C 1.1605(11) 0.9180(3) 0.4239(2) 0.0502(13) Uani 1 1 d . . . . .
H9 H 1.245003 0.926376 0.385913 0.060 Uiso 1 1 calc R U . . .
C10 C 1.2401(11) 0.8641(3) 0.4592(2) 0.0452(12) Uani 1 1 d . . . . .
H10 H 1.379891 0.835845 0.445552 0.054 Uiso 1 1 calc R U . . .
C11 C 1.1157(9) 0.8505(2) 0.5157(2) 0.0355(10) Uani 1 1 d . . . . .
C12 C 1.1923(9) 0.7945(2) 0.5535(2) 0.0371(10) Uani 1 1 d . . . . .
H12 H 1.331968 0.765749 0.540563 0.044 Uiso 1 1 calc R U . . .
C13 C 1.0689(8) 0.7817(2) 0.6074(2) 0.0335(9) Uani 1 1 d . . . . .
H13 H 1.123207 0.743865 0.631106 0.040 Uiso 1 1 calc R U . . .
C14 C 0.8586(8) 0.8238(2) 0.6295(2) 0.0299(9) Uani 1 1 d . . . . .
C15 C 0.7828(8) 0.8810(2) 0.59326(19) 0.0311(9) Uani 1 1 d . . . . .
C16 C 0.9110(9) 0.8935(2) 0.5360(2) 0.0322(9) Uani 1 1 d . . . . .
C17 C 0.7858(8) 0.7529(2) 0.7255(2) 0.0306(9) Uani 1 1 d . . . . .
C18 C 0.6152(8) 0.6666(2) 0.7936(2) 0.0319(9) Uani 1 1 d . . . . .
H18 H 0.781596 0.641273 0.784592 0.038 Uiso 1 1 calc R U . . .
C19 C 0.6409(9) 0.7001(2) 0.8567(2) 0.0392(10) Uani 1 1 d . . . . .
C20 C 0.8152(17) 0.6876(4) 0.9560(3) 0.073(2) Uani 1 1 d . . . . .
H20A H 0.895859 0.733274 0.954734 0.087 Uiso 1 1 calc R U . . .
H20B H 0.642494 0.690987 0.976871 0.087 Uiso 1 1 calc R U . . .
C21 C 0.9846(19) 0.6413(4) 0.9885(3) 0.080(2) Uani 1 1 d . . . . .
H21A H 1.158739 0.640556 0.969013 0.120 Uiso 1 1 calc R U . . .
H21B H 0.907966 0.595729 0.987482 0.120 Uiso 1 1 calc R U . . .
H21C H 1.002555 0.656269 1.031027 0.120 Uiso 1 1 calc R U . . .
C22 C 0.3874(8) 0.6165(2) 0.7952(2) 0.0328(9) Uani 1 1 d . . . . .
H22A H 0.414791 0.584147 0.829239 0.039 Uiso 1 1 calc R U . . .
H22B H 0.221198 0.641364 0.803077 0.039 Uiso 1 1 calc R U . . .
C23 C 0.3627(9) 0.5775(2) 0.7356(2) 0.0372(10) Uani 1 1 d . . . . .
H23A H 0.323365 0.609650 0.702037 0.045 Uiso 1 1 calc R U . . .
H23B H 0.533338 0.555346 0.726281 0.045 Uiso 1 1 calc R U . . .
C24 C 0.1509(8) 0.5246(2) 0.7379(2) 0.0358(10) Uani 1 1 d . . . . .
C25 C -0.0291(13) 0.4258(3) 0.6929(3) 0.0545(14) Uani 1 1 d . . . . .
H25A H -0.009933 0.397208 0.729839 0.065 Uiso 1 1 calc R U . . .
H25B H -0.207247 0.446395 0.693413 0.065 Uiso 1 1 calc R U . . .
C26 C 0.003(2) 0.3846(4) 0.6383(3) 0.093(3) Uani 1 1 d . . . . .
H26A H -0.018455 0.413169 0.601959 0.139 Uiso 1 1 calc R U . . .
H26B H -0.130580 0.348688 0.638020 0.139 Uiso 1 1 calc R U . . .
H26C H 0.179156 0.364282 0.638209 0.139 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 C17 1.221(5) . ?
O2 C19 1.191(6) . ?
O3 C19 1.317(6) . ?
O3 C20 1.461(7) . ?
O4 C24 1.200(6) . ?
O5 C24 1.337(6) . ?
O5 C25 1.456(6) . ?
N1 H1 0.8800 . ?
N1 C17 1.338(5) . ?
N1 C18 1.452(5) . ?
C1 C2 1.387(6) . ?
C1 C14 1.416(6) . ?
C1 C17 1.501(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(7) . ?
C4 C5 1.436(6) . ?
C4 C15 1.421(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.343(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.428(7) . ?
C7 C8 1.408(8) . ?
C7 C16 1.423(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.413(7) . ?
C11 C12 1.432(7) . ?
C11 C16 1.412(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.358(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.435(6) . ?
C14 C15 1.431(6) . ?
C15 C16 1.432(6) . ?
C18 H18 1.0000 . ?
C18 C19 1.535(7) . ?
C18 C22 1.520(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.440(10) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.519(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.497(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.452(9) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

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
C19 O3 C20 115.9(4) . . ?
C24 O5 C25 115.7(4) . . ?
C17 N1 H1 119.8 . . ?
C17 N1 C18 120.3(3) . . ?
C18 N1 H1 119.8 . . ?
C2 C1 C14 119.8(4) . . ?
C2 C1 C17 118.4(4) . . ?
C14 C1 C17 121.8(4) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 C1 122.0(4) . . ?
C3 C2 H2 119.0 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 121.9(4) . . ?
C3 C4 C15 119.0(4) . . ?
C15 C4 C5 119.1(4) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 C4 121.2(4) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 H6 119.2 . . ?
C5 C6 C7 121.6(4) . . ?
C7 C6 H6 119.2 . . ?
C8 C7 C6 122.5(4) . . ?
C8 C7 C16 118.4(5) . . ?
C16 C7 C6 119.1(4) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 C7 120.9(5) . . ?
C9 C8 H8 119.5 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.8(5) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.5(5) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 122.0(4) . . ?
C16 C11 C10 119.2(4) . . ?
C16 C11 C12 118.8(4) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 C11 121.2(4) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.1 . . ?
C12 C13 C14 121.8(4) . . ?
C14 C13 H13 119.1 . . ?
C1 C14 C13 123.9(4) . . ?
C1 C14 C15 118.1(4) . . ?
C15 C14 C13 118.0(4) . . ?
C4 C15 C14 120.6(4) . . ?
C4 C15 C16 119.5(4) . . ?
C14 C15 C16 119.8(4) . . ?
C7 C16 C15 119.5(4) . . ?
C11 C16 C7 120.2(4) . . ?
C11 C16 C15 120.3(4) . . ?
O1 C17 N1 122.0(4) . . ?
O1 C17 C1 122.7(4) . . ?
N1 C17 C1 115.3(3) . . ?
N1 C18 H18 108.7 . . ?
N1 C18 C19 109.7(3) . . ?
N1 C18 C22 112.1(3) . . ?
C19 C18 H18 108.7 . . ?
C22 C18 H18 108.7 . . ?
C22 C18 C19 108.9(4) . . ?
O2 C19 O3 124.2(5) . . ?
O2 C19 C18 125.1(4) . . ?
O3 C19 C18 110.7(4) . . ?
O3 C20 H20A 110.1 . . ?
O3 C20 H20B 110.1 . . ?
H20A C20 H20B 108.4 . . ?
C21 C20 O3 108.0(5) . . ?
C21 C20 H20A 110.1 . . ?
C21 C20 H20B 110.1 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.2 . . ?
C18 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 C18 111.9(4) . . ?
C23 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
C22 C23 H23A 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C24 C23 C22 112.5(4) . . ?
C24 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
O4 C24 O5 122.2(4) . . ?
O4 C24 C23 124.8(4) . . ?
O5 C24 C23 113.0(4) . . ?
O5 C25 H25A 109.9 . . ?
O5 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
C26 C25 O5 109.0(5) . . ?
C26 C25 H25A 109.9 . . ?
C26 C25 H25B 109.9 . . ?
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 . . ?

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 C18 C19 O2 28.2(7) . . . . ?
N1 C18 C19 O3 -153.2(4) . . . . ?
N1 C18 C22 C23 62.7(5) . . . . ?
C1 C2 C3 C4 2.9(7) . . . . ?
C1 C14 C15 C4 1.1(6) . . . . ?
C1 C14 C15 C16 -177.4(4) . . . . ?
C2 C1 C14 C13 179.4(4) . . . . ?
C2 C1 C14 C15 -1.5(6) . . . . ?
C2 C1 C17 O1 -134.5(5) . . . . ?
C2 C1 C17 N1 45.5(5) . . . . ?
C2 C3 C4 C5 177.1(4) . . . . ?
C2 C3 C4 C15 -3.2(6) . . . . ?
C3 C4 C5 C6 -178.9(4) . . . . ?
C3 C4 C15 C14 1.1(6) . . . . ?
C3 C4 C15 C16 179.7(4) . . . . ?
C4 C5 C6 C7 -1.7(7) . . . . ?
C4 C15 C16 C7 0.1(6) . . . . ?
C4 C15 C16 C11 -179.9(4) . . . . ?
C5 C4 C15 C14 -179.1(4) . . . . ?
C5 C4 C15 C16 -0.5(6) . . . . ?
C5 C6 C7 C8 180.0(5) . . . . ?
C5 C6 C7 C16 1.2(7) . . . . ?
C6 C7 C8 C9 179.9(5) . . . . ?
C6 C7 C16 C11 179.6(4) . . . . ?
C6 C7 C16 C15 -0.4(6) . . . . ?
C7 C8 C9 C10 0.7(8) . . . . ?
C8 C7 C16 C11 0.8(7) . . . . ?
C8 C7 C16 C15 -179.2(4) . . . . ?
C8 C9 C10 C11 0.4(8) . . . . ?
C9 C10 C11 C12 179.5(5) . . . . ?
C9 C10 C11 C16 -1.0(7) . . . . ?
C10 C11 C12 C13 -179.3(4) . . . . ?
C10 C11 C16 C7 0.4(6) . . . . ?
C10 C11 C16 C15 -179.7(4) . . . . ?
C11 C12 C13 C14 -0.7(7) . . . . ?
C12 C11 C16 C7 179.9(4) . . . . ?
C12 C11 C16 C15 -0.1(6) . . . . ?
C12 C13 C14 C1 178.3(4) . . . . ?
C12 C13 C14 C15 -0.8(6) . . . . ?
C13 C14 C15 C4 -179.7(4) . . . . ?
C13 C14 C15 C16 1.8(5) . . . . ?
C14 C1 C2 C3 -0.5(6) . . . . ?
C14 C1 C17 O1 44.0(6) . . . . ?
C14 C1 C17 N1 -136.1(4) . . . . ?
C14 C15 C16 C7 178.6(4) . . . . ?
C14 C15 C16 C11 -1.3(6) . . . . ?
C15 C4 C5 C6 1.4(7) . . . . ?
C16 C7 C8 C9 -1.3(7) . . . . ?
C16 C11 C12 C13 1.1(6) . . . . ?
C17 N1 C18 C19 80.3(5) . . . . ?
C17 N1 C18 C22 -158.6(4) . . . . ?
C17 C1 C2 C3 178.0(4) . . . . ?
C17 C1 C14 C13 1.0(6) . . . . ?
C17 C1 C14 C15 -179.9(4) . . . . ?
C18 N1 C17 O1 8.4(7) . . . . ?
C18 N1 C17 C1 -171.6(4) . . . . ?
C18 C22 C23 C24 176.1(4) . . . . ?
C19 O3 C20 C21 -176.4(6) . . . . ?
C19 C18 C22 C23 -175.8(4) . . . . ?
C20 O3 C19 O2 -0.5(9) . . . . ?
C20 O3 C19 C18 -179.1(5) . . . . ?
C22 C18 C19 O2 -94.8(6) . . . . ?
C22 C18 C19 O3 83.8(5) . . . . ?
C22 C23 C24 O4 16.9(6) . . . . ?
C22 C23 C24 O5 -163.8(4) . . . . ?
C24 O5 C25 C26 174.3(6) . . . . ?
C25 O5 C24 O4 -1.0(7) . . . . ?
C25 O5 C24 C23 179.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.928
_oxdiff_exptl_absorpt_empirical_full_min 0.427
