# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_sr-24
_database_code_depnum_ccdc_archive 'CCDC 2496120'
loop_
_audit_author_name
_audit_author_address
'wei sun'
;University of Chinese Academy of Sciences
China
;
_audit_update_record             
;
2025-10-17 deposited with the CCDC.	2026-01-27 downloaded from the CCDC.
;
_audit_creation_date             2024-05-22
_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         'C29 H31 N O7'
_chemical_formula_sum            'C29 H31 N O7'
_chemical_formula_weight         505.55
_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.23342(9)
_cell_length_b                   10.91871(9)
_cell_length_c                   22.88257(16)
_cell_angle_alpha                90
_cell_angle_beta                 93.5134(7)
_cell_angle_gamma                90
_cell_volume                     2552.00(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13598
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      73.1700
_cell_measurement_theta_min      3.8710
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.772
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.92a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            18836
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.329
_diffrn_reflns_theta_min         3.871
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     42.00  73.00   0.50    0.10    --   99.00 -61.00 150.00   62
  2  ω     26.00  71.00   0.50    0.10    --   99.00 -61.00  90.00   90
  3  ω     26.00  59.00   0.50    0.10    --   99.00 -51.00  39.00   66
  4  ω     27.00  52.00   0.50    0.10    --   99.00 -45.00  60.00   50
  5  ω     28.00  53.00   0.50    0.10    --   99.00 -45.00 120.00   50
  6  ω     27.00  52.00   0.50    0.10    --   99.00 -45.00  90.00   50
  7  ω     15.00  41.00   0.50    0.10    --   45.87 -51.00  39.00   52
  8  ω     27.00  53.00   0.50    0.10    --   99.00 -45.00 -60.00   52
  9  ω     27.00  52.00   0.50    0.10    --   99.00 -45.00 -90.00   50
 10  ω     35.00  61.00   0.50    0.10    --   99.00 -61.00-150.00   52
 11  ω     28.00  53.00   0.50    0.10    --   99.00 -45.00-180.00   50
 12  ω     27.00  52.00   0.50    0.10    --   99.00 -45.00-150.00   50
 13  ω     51.00  76.00   0.50    0.10    --   45.87  51.00-174.00   50
 14  ω     89.00 172.00   0.50    0.10    --   99.00  51.00-174.00  166
 15  ω    105.00 151.00   0.50    0.10    --   99.00  45.00-120.00   92
 16  ω    126.00 152.00   0.50    0.10    --   99.00  45.00 -30.00   52
 17  ω     89.00 115.00   0.50    0.10    --   99.00  45.00 -30.00   52
 18  ω    -22.00  27.00   0.50    0.10    --  -45.87  51.00-174.00   98
 19  ω    -18.00  16.00   0.50    0.10    --  -45.87  19.00-180.00   68
 20  ω    -69.00 -44.00   0.50    0.10    --  -99.00  61.00-150.00   50
 21  ω    -56.00 -29.00   0.50    0.10    --  -99.00  51.00-174.00   54
 22  ω    -24.00  30.00   0.50    0.10    --  -45.87  19.00 -30.00  108
 23  ω   -104.00 -47.00   0.50    0.10    --  -99.00  77.00  30.00  114
 24  ω   -119.00 -30.00   0.50    0.10    --  -45.87 -51.00  39.00  178
 25  ω   -120.00 -86.00   0.50    0.10    --  -99.00 -94.00 150.00   68
 26  ω   -152.00-127.00   0.50    0.10    --  -99.00 -51.00  39.00   50
 27  ω   -168.00-143.00   0.50    0.10    --  -99.00 -94.00 150.00   50
 28  ω   -170.00 -94.00   0.50    0.10    --  -99.00 -45.00 -60.00  152
 29  ω   -168.00-142.00   0.50    0.10    --  -99.00-125.00-180.00   52
 30  ω   -115.00 -83.00   0.50    0.10    --  -99.00-125.00-180.00   64
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0711104000
_diffrn_orient_matrix_UB_12      -0.0336803000
_diffrn_orient_matrix_UB_13      0.0552100000
_diffrn_orient_matrix_UB_21      -0.1163135000
_diffrn_orient_matrix_UB_22      0.0815667000
_diffrn_orient_matrix_UB_23      -0.0210802000
_diffrn_orient_matrix_UB_31      -0.0644411000
_diffrn_orient_matrix_UB_32      -0.1101064000
_diffrn_orient_matrix_UB_33      -0.0325326000
_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              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4537
_reflns_number_total             4975
_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 1.171.43.92a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.43.92a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.92a (Rigaku OD, 2023)'
_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         0.542
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     357
_refine_ls_number_reflns         4975
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0423
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0660P)²+1.1999P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1167
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 O3, C26
 with sigma for 1-2 distances of 0.0009 and sigma for 1-3 distances of 0.0009
3. Uiso/Uaniso restraints and constraints
O3 \\sim C26: within 2A with sigma of 0.0006 and sigma for terminal atoms of
0.0012 within 2A
4. Others
 Sof(C9)=Sof(H9A)=Sof(H9B)=Sof(H9C)=Sof(H23C)=Sof(H23D)=1-FVAR(1)
 Sof(H23A)=Sof(H23B)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C14(H14)
5.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C23(H23A,H23B), C23(H23C,H23D)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C16(H16), C17(H17), C18(H18), C19(H19),
 C20(H20), C34(H34)
5.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C24(H24A,H24B,H24C), C28(H28A,H28B,H28C), C32(H32A,H32B,
 H32C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.85414(9) 0.85661(9) 0.72189(4) 0.0199(2) Uani 1 1 d . . . . .
O2 O 0.77274(10) 0.84235(9) 0.60018(4) 0.0245(2) Uani 1 1 d . . . . .
O3 O 0.97077(10) 0.75289(10) 0.60523(4) 0.0266(2) Uani 1 1 d . U . . .
O4 O 0.74819(11) 0.63072(10) 0.52476(4) 0.0298(3) Uani 1 1 d . . . . .
O5 O 0.67386(11) 0.46945(10) 0.57304(4) 0.0280(2) Uani 1 1 d . . . . .
O6 O 0.53322(10) 0.83251(10) 0.67127(5) 0.0263(2) Uani 1 1 d . . . . .
O7 O 0.50757(11) 0.69980(12) 0.59620(5) 0.0363(3) Uani 1 1 d . . . . .
N1 N 0.69898(11) 0.86200(10) 0.78990(5) 0.0177(2) Uani 1 1 d . . . . .
C1 C 0.59411(12) 0.78891(12) 0.80565(6) 0.0178(3) Uani 1 1 d . . . . .
C2 C 0.50155(13) 0.81479(13) 0.84544(6) 0.0208(3) Uani 1 1 d . . . . .
H2 H 0.505035 0.888476 0.867562 0.025 Uiso 1 1 calc R U . . .
C3 C 0.40263(14) 0.72838(14) 0.85189(6) 0.0243(3) Uani 1 1 d . . . . .
H3 H 0.337599 0.743608 0.878882 0.029 Uiso 1 1 calc R U . . .
C4 C 0.39776(14) 0.62087(14) 0.81960(6) 0.0248(3) Uani 1 1 d . . . . .
H4 H 0.329335 0.563651 0.824446 0.030 Uiso 1 1 calc R U . . .
C5 C 0.49309(13) 0.59619(13) 0.77989(6) 0.0211(3) Uani 1 1 d . . . . .
H5 H 0.490103 0.522357 0.757882 0.025 Uiso 1 1 calc R U . . .
C6 C 0.59158(13) 0.68057(12) 0.77310(6) 0.0174(3) Uani 1 1 d . . . . .
C7 C 0.70875(12) 0.67866(12) 0.73566(6) 0.0170(3) Uani 1 1 d . . . . .
C8 C 0.76380(12) 0.80881(12) 0.74586(6) 0.0171(3) Uani 1 1 d . . . . .
C9 C 0.4124(12) 0.7895(9) 0.5064(4) 0.061(3) Uani 0.235(6) 1 d . . P A 2
H9A H 0.503014 0.804993 0.496816 0.092 Uiso 0.235(6) 1 calc R U P A 2
H9B H 0.356846 0.857758 0.492308 0.092 Uiso 0.235(6) 1 calc R U P A 2
H9C H 0.381393 0.713470 0.487423 0.092 Uiso 0.235(6) 1 calc R U P A 2
C10 C 0.81718(13) 0.58395(12) 0.76122(6) 0.0179(3) Uani 1 1 d . . . . .
C11 C 0.93052(13) 0.58204(13) 0.71968(6) 0.0200(3) Uani 1 1 d . . . . .
H11A H 0.969488 0.664859 0.718009 0.024 Uiso 1 1 calc R U . . .
H11B H 0.999358 0.525068 0.735301 0.024 Uiso 1 1 calc R U . . .
C12 C 0.88356(14) 0.54204(13) 0.65808(6) 0.0214(3) Uani 1 1 d . . . . .
H12A H 0.843169 0.459859 0.659974 0.026 Uiso 1 1 calc R U . . .
H12B H 0.959803 0.535676 0.633627 0.026 Uiso 1 1 calc R U . . .
C13 C 0.78312(13) 0.63219(13) 0.62899(6) 0.0195(3) Uani 1 1 d . . . . .
C14 C 0.66866(13) 0.65032(12) 0.67045(6) 0.0180(3) Uani 1 1 d . . . . .
H14 H 0.623191 0.569290 0.670944 0.022 Uiso 1 1 calc R U . . .
C15 C 0.86425(13) 0.62455(12) 0.82357(6) 0.0186(3) Uani 1 1 d . . . . .
C16 C 0.97647(13) 0.69582(13) 0.83474(6) 0.0207(3) Uani 1 1 d . . . . .
H16 H 1.027595 0.718608 0.803204 0.025 Uiso 1 1 calc R U . . .
C17 C 1.01468(14) 0.73406(13) 0.89140(6) 0.0232(3) Uani 1 1 d . . . . .
H17 H 1.091491 0.782219 0.897993 0.028 Uiso 1 1 calc R U . . .
C18 C 0.94163(15) 0.70245(14) 0.93817(6) 0.0252(3) Uani 1 1 d . . . . .
H18 H 0.968036 0.728055 0.976775 0.030 Uiso 1 1 calc R U . . .
C19 C 0.82900(15) 0.63260(14) 0.92760(6) 0.0260(3) Uani 1 1 d . . . . .
H19 H 0.777420 0.611227 0.959192 0.031 Uiso 1 1 calc R U . . .
C20 C 0.79133(14) 0.59387(13) 0.87136(6) 0.0223(3) Uani 1 1 d . . . . .
H20 H 0.714540 0.545562 0.865087 0.027 Uiso 1 1 calc R U . . .
C21 C 0.56431(14) 0.74093(13) 0.64709(6) 0.0218(3) Uani 1 1 d . . . . .
C23 C 0.4067(2) 0.7781(2) 0.56858(10) 0.0584(6) Uani 1 1 d . . . . .
H23A H 0.347900 0.727850 0.542267 0.070 Uiso 0.765(6) 1 calc R U P A 1
H23B H 0.353570 0.813386 0.599157 0.070 Uiso 0.765(6) 1 calc R U P A 1
H23C H 0.319860 0.744846 0.577139 0.070 Uiso 0.235(6) 1 calc R U P A 2
H23D H 0.414365 0.860657 0.586300 0.070 Uiso 0.235(6) 1 calc R U P A 2
C24 C 0.4592(3) 0.8740(3) 0.53605(12) 0.0534(9) Uani 0.765(6) 1 d . . P A 1
H24A H 0.505421 0.931730 0.562801 0.080 Uiso 0.765(6) 1 calc R U P A 1
H24B H 0.388249 0.916620 0.513724 0.080 Uiso 0.765(6) 1 calc R U P A 1
H24C H 0.520609 0.840154 0.509034 0.080 Uiso 0.765(6) 1 calc R U P A 1
C26 C 0.85453(14) 0.74885(14) 0.61120(6) 0.0234(3) Uani 1 1 d . U . . .
C28 C 0.83755(16) 0.95636(15) 0.58783(7) 0.0301(3) Uani 1 1 d . . . . .
H28A H 0.893242 0.944684 0.554928 0.045 Uiso 1 1 calc R U . . .
H28B H 0.891564 0.982310 0.622471 0.045 Uiso 1 1 calc R U . . .
H28C H 0.771768 1.019332 0.577719 0.045 Uiso 1 1 calc R U . . .
C30 C 0.72687(14) 0.56803(13) 0.57295(6) 0.0214(3) Uani 1 1 d . . . . .
C32 C 0.6976(2) 0.57442(18) 0.47070(7) 0.0448(5) Uani 1 1 d . . . . .
H32A H 0.710973 0.629761 0.437885 0.067 Uiso 1 1 calc R U . . .
H32B H 0.603825 0.558213 0.472871 0.067 Uiso 1 1 calc R U . . .
H32C H 0.743748 0.497190 0.464775 0.067 Uiso 1 1 calc R U . . .
C34 C 0.75953(13) 0.45494(13) 0.76192(6) 0.0203(3) Uani 1 1 d . . . . .
H34 H 0.679094 0.441638 0.739862 0.024 Uiso 1 1 calc R U . . .
C35 C 0.81189(16) 0.36077(14) 0.79048(7) 0.0280(3) Uani 1 1 d . . . . .
H35A H 0.7727(19) 0.2813(19) 0.7857(8) 0.034(5) Uiso 1 1 d . . . . .
H35B H 0.888(2) 0.367(2) 0.8173(10) 0.047(6) Uiso 1 1 d . . . . .
C37 C 0.74038(14) 0.97707(13) 0.81687(6) 0.0216(3) Uani 1 1 d . . . . .
H37A H 0.665303 1.016769 0.833577 0.032 Uiso 1 1 calc R U . . .
H37B H 0.775347 1.030761 0.787261 0.032 Uiso 1 1 calc R U . . .
H37C H 0.808450 0.961377 0.847974 0.032 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 C8 1.2208(16) . ?
O2 C26 1.3343(18) . ?
O2 C28 1.4465(18) . ?
O3 C26 1.2064(18) . ?
O4 C30 1.3273(17) . ?
O4 C32 1.4482(18) . ?
O5 C30 1.2054(18) . ?
O6 C21 1.1954(18) . ?
O7 C21 1.3460(17) . ?
O7 C23 1.455(2) . ?
N1 C1 1.4021(17) . ?
N1 C8 1.3692(17) . ?
N1 C37 1.4515(17) . ?
C1 C2 1.3828(19) . ?
C1 C6 1.3972(19) . ?
C2 H2 0.9500 . ?
C2 C3 1.398(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.400(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.3813(19) . ?
C6 C7 1.5159(18) . ?
C7 C8 1.5412(18) . ?
C7 C10 1.6009(18) . ?
C7 C14 1.5541(18) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C23 1.434(10) . ?
C10 C11 1.5442(18) . ?
C10 C15 1.5428(18) . ?
C10 C34 1.5276(19) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.5249(18) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.5442(19) . ?
C13 C14 1.5645(18) . ?
C13 C26 1.5359(19) . ?
C13 C30 1.5414(18) . ?
C14 H14 1.0000 . ?
C14 C21 1.5281(19) . ?
C15 C16 1.398(2) . ?
C15 C20 1.4017(19) . ?
C16 H16 0.9500 . ?
C16 C17 1.3951(19) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.391(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(2) . ?
C20 H20 0.9500 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 H23C 0.9900 . ?
C23 H23D 0.9900 . ?
C23 C24 1.410(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 H34 0.9500 . ?
C34 C35 1.315(2) . ?
C35 H35A 0.96(2) . ?
C35 H35B 0.96(2) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 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
C26 O2 C28 113.93(12) . . ?
C30 O4 C32 114.99(12) . . ?
C21 O7 C23 115.91(14) . . ?
C1 N1 C37 126.27(11) . . ?
C8 N1 C1 111.14(11) . . ?
C8 N1 C37 122.55(11) . . ?
C2 C1 N1 128.23(13) . . ?
C2 C1 C6 122.21(13) . . ?
C6 C1 N1 109.53(11) . . ?
C1 C2 H2 121.3 . . ?
C1 C2 C3 117.46(13) . . ?
C3 C2 H2 121.3 . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.19(13) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.36(13) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.15(13) . . ?
C6 C5 H5 120.4 . . ?
C1 C6 C7 108.87(11) . . ?
C5 C6 C1 119.64(12) . . ?
C5 C6 C7 131.47(12) . . ?
C6 C7 C8 101.31(10) . . ?
C6 C7 C10 110.91(10) . . ?
C6 C7 C14 111.96(11) . . ?
C8 C7 C10 107.55(10) . . ?
C8 C7 C14 113.68(10) . . ?
C14 C7 C10 111.00(10) . . ?
O1 C8 N1 124.32(12) . . ?
O1 C8 C7 127.30(12) . . ?
N1 C8 C7 108.27(11) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C23 C9 H9A 109.5 . . ?
C23 C9 H9B 109.5 . . ?
C23 C9 H9C 109.5 . . ?
C11 C10 C7 108.29(10) . . ?
C15 C10 C7 108.81(10) . . ?
C15 C10 C11 111.68(11) . . ?
C34 C10 C7 109.88(10) . . ?
C34 C10 C11 107.40(11) . . ?
C34 C10 C15 110.74(11) . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C12 C11 C10 111.52(11) . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C11 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C11 C12 C13 112.31(11) . . ?
H12A C12 H12B 107.9 . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
C12 C13 C14 108.82(11) . . ?
C26 C13 C12 109.15(11) . . ?
C26 C13 C14 116.22(11) . . ?
C26 C13 C30 108.42(11) . . ?
C30 C13 C12 105.89(11) . . ?
C30 C13 C14 107.86(11) . . ?
C7 C14 C13 116.36(11) . . ?
C7 C14 H14 105.1 . . ?
C13 C14 H14 105.1 . . ?
C21 C14 C7 110.17(11) . . ?
C21 C14 C13 113.75(11) . . ?
C21 C14 H14 105.1 . . ?
C16 C15 C10 122.38(12) . . ?
C16 C15 C20 117.46(12) . . ?
C20 C15 C10 120.12(12) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.12(13) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.62(13) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.6 . . ?
C17 C18 C19 118.87(13) . . ?
C19 C18 H18 120.6 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.59(13) . . ?
C20 C19 H19 119.7 . . ?
C15 C20 H20 119.3 . . ?
C19 C20 C15 121.34(13) . . ?
C19 C20 H20 119.3 . . ?
O6 C21 O7 124.52(13) . . ?
O6 C21 C14 125.43(13) . . ?
O7 C21 C14 109.99(12) . . ?
O7 C23 H23A 109.1 . . ?
O7 C23 H23B 109.1 . . ?
O7 C23 H23C 108.7 . . ?
O7 C23 H23D 108.7 . . ?
C9 C23 O7 114.3(5) . . ?
C9 C23 H23C 108.7 . . ?
C9 C23 H23D 108.7 . . ?
H23A C23 H23B 107.8 . . ?
H23C C23 H23D 107.6 . . ?
C24 C23 O7 112.4(2) . . ?
C24 C23 H23A 109.1 . . ?
C24 C23 H23B 109.1 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O2 C26 C13 112.43(12) . . ?
O3 C26 O2 124.20(13) . . ?
O3 C26 C13 123.28(14) . . ?
O2 C28 H28A 109.5 . . ?
O2 C28 H28B 109.5 . . ?
O2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O4 C30 C13 112.63(11) . . ?
O5 C30 O4 123.97(13) . . ?
O5 C30 C13 123.33(12) . . ?
O4 C32 H32A 109.5 . . ?
O4 C32 H32B 109.5 . . ?
O4 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C10 C34 H34 117.3 . . ?
C35 C34 C10 125.48(13) . . ?
C35 C34 H34 117.3 . . ?
C34 C35 H35A 119.7(12) . . ?
C34 C35 H35B 123.5(13) . . ?
H35A C35 H35B 116.8(17) . . ?
N1 C37 H37A 109.5 . . ?
N1 C37 H37B 109.5 . . ?
N1 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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 C1 C2 C3 177.51(13) . . . . ?
N1 C1 C6 C5 -177.69(12) . . . . ?
N1 C1 C6 C7 3.68(14) . . . . ?
C1 N1 C8 O1 175.71(12) . . . . ?
C1 N1 C8 C7 -7.82(14) . . . . ?
C1 C2 C3 C4 0.0(2) . . . . ?
C1 C6 C7 C8 -7.71(13) . . . . ?
C1 C6 C7 C10 106.22(12) . . . . ?
C1 C6 C7 C14 -129.19(12) . . . . ?
C2 C1 C6 C5 0.8(2) . . . . ?
C2 C1 C6 C7 -177.85(12) . . . . ?
C2 C3 C4 C5 0.5(2) . . . . ?
C3 C4 C5 C6 -0.3(2) . . . . ?
C4 C5 C6 C1 -0.3(2) . . . . ?
C4 C5 C6 C7 178.00(13) . . . . ?
C5 C6 C7 C8 173.88(14) . . . . ?
C5 C6 C7 C10 -72.19(18) . . . . ?
C5 C6 C7 C14 52.40(19) . . . . ?
C6 C1 C2 C3 -0.7(2) . . . . ?
C6 C7 C8 O1 -174.38(13) . . . . ?
C6 C7 C8 N1 9.29(13) . . . . ?
C6 C7 C10 C11 177.43(11) . . . . ?
C6 C7 C10 C15 -61.00(14) . . . . ?
C6 C7 C10 C34 60.40(14) . . . . ?
C6 C7 C14 C13 -173.68(11) . . . . ?
C6 C7 C14 C21 54.94(14) . . . . ?
C7 C10 C11 C12 -60.13(14) . . . . ?
C7 C10 C15 C16 -95.59(14) . . . . ?
C7 C10 C15 C20 82.10(15) . . . . ?
C7 C10 C34 C35 -165.57(14) . . . . ?
C7 C14 C21 O6 11.78(19) . . . . ?
C7 C14 C21 O7 -165.39(11) . . . . ?
C8 N1 C1 C2 -175.63(13) . . . . ?
C8 N1 C1 C6 2.72(15) . . . . ?
C8 C7 C10 C11 -72.63(13) . . . . ?
C8 C7 C10 C15 48.94(13) . . . . ?
C8 C7 C10 C34 170.34(10) . . . . ?
C8 C7 C14 C13 72.26(14) . . . . ?
C8 C7 C14 C21 -59.12(14) . . . . ?
C10 C7 C8 O1 69.20(16) . . . . ?
C10 C7 C8 N1 -107.13(11) . . . . ?
C10 C7 C14 C13 -49.14(15) . . . . ?
C10 C7 C14 C21 179.49(10) . . . . ?
C10 C11 C12 C13 63.22(15) . . . . ?
C10 C15 C16 C17 178.19(12) . . . . ?
C10 C15 C20 C19 -177.84(13) . . . . ?
C11 C10 C15 C16 23.89(17) . . . . ?
C11 C10 C15 C20 -158.42(12) . . . . ?
C11 C10 C34 C35 76.85(17) . . . . ?
C11 C12 C13 C14 -54.06(15) . . . . ?
C11 C12 C13 C26 73.71(14) . . . . ?
C11 C12 C13 C30 -169.77(11) . . . . ?
C12 C13 C14 C7 48.70(15) . . . . ?
C12 C13 C14 C21 178.38(11) . . . . ?
C12 C13 C26 O2 -163.49(11) . . . . ?
C12 C13 C26 O3 19.86(18) . . . . ?
C12 C13 C30 O4 -119.90(13) . . . . ?
C12 C13 C30 O5 57.43(17) . . . . ?
C13 C14 C21 O6 -120.94(15) . . . . ?
C13 C14 C21 O7 61.89(15) . . . . ?
C14 C7 C8 O1 -54.11(17) . . . . ?
C14 C7 C8 N1 129.56(11) . . . . ?
C14 C7 C10 C11 52.30(14) . . . . ?
C14 C7 C10 C15 173.87(10) . . . . ?
C14 C7 C10 C34 -64.73(13) . . . . ?
C14 C13 C26 O2 -40.01(16) . . . . ?
C14 C13 C26 O3 143.33(13) . . . . ?
C14 C13 C30 O4 123.74(13) . . . . ?
C14 C13 C30 O5 -58.93(17) . . . . ?
C15 C10 C11 C12 -179.92(11) . . . . ?
C15 C10 C34 C35 -45.34(19) . . . . ?
C15 C16 C17 C18 -0.2(2) . . . . ?
C16 C15 C20 C19 0.0(2) . . . . ?
C16 C17 C18 C19 -0.4(2) . . . . ?
C17 C18 C19 C20 0.8(2) . . . . ?
C18 C19 C20 C15 -0.6(2) . . . . ?
C20 C15 C16 C17 0.4(2) . . . . ?
C21 O7 C23 C9 137.9(5) . . . . ?
C21 O7 C23 C24 82.0(2) . . . . ?
C23 O7 C21 O6 3.4(2) . . . . ?
C23 O7 C21 C14 -179.42(16) . . . . ?
C26 C13 C14 C7 -74.95(15) . . . . ?
C26 C13 C14 C21 54.73(15) . . . . ?
C26 C13 C30 O4 -2.89(17) . . . . ?
C26 C13 C30 O5 174.44(13) . . . . ?
C28 O2 C26 O3 -8.04(19) . . . . ?
C28 O2 C26 C13 175.34(11) . . . . ?
C30 C13 C14 C7 163.13(11) . . . . ?
C30 C13 C14 C21 -67.19(14) . . . . ?
C30 C13 C26 O2 81.62(14) . . . . ?
C30 C13 C26 O3 -95.04(15) . . . . ?
C32 O4 C30 O5 2.6(2) . . . . ?
C32 O4 C30 C13 179.86(14) . . . . ?
C34 C10 C11 C12 58.48(14) . . . . ?
C34 C10 C15 C16 143.55(12) . . . . ?
C34 C10 C15 C20 -38.77(16) . . . . ?
C37 N1 C1 C2 6.6(2) . . . . ?
C37 N1 C1 C6 -175.04(12) . . . . ?
C37 N1 C8 O1 -6.4(2) . . . . ?
C37 N1 C8 C7 170.04(11) . . . . ?

_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 1.471
_oxdiff_exptl_absorpt_empirical_full_min 0.742
