# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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_cy-2
_database_code_depnum_ccdc_archive 'CCDC 2306202'
loop_
_audit_author_name
_audit_author_address
chen shanghaiyingyongjishudaxue
_audit_update_record             
;
2023-11-07 deposited with the CCDC.	2024-06-18 downloaded from the CCDC.
;
_audit_creation_date             2023-09-24
_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 H29 N O'
_chemical_formula_sum            'C26 H29 N O'
_chemical_formula_weight         371.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N'
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                   9.32650(10)
_cell_length_b                   9.32650(10)
_cell_length_c                   12.2744(2)
_cell_angle_alpha                88.7920(10)
_cell_angle_beta                 88.7920(10)
_cell_angle_gamma                80.4880(10)
_cell_volume                     1052.59(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7808
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      76.1080
_cell_measurement_theta_min      4.7680
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.538
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80279
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.49a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13150
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.529
_diffrn_reflns_theta_min         3.602
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -116.00 -73.00   0.50    1.03    --  -47.82-125.00-180.00   86
  2  ω    -38.00  15.00   0.50    1.03    --  -47.82  37.00  30.00  106
  3  ω    -22.00   5.00   0.50    1.03    --  -47.82  19.00-180.00   54
  4  ω    -70.00  25.00   0.50    1.03    --  -47.82  77.00-120.00  190
  5  ω   -103.00 -33.00   0.50    1.03    --  -47.82 -57.00 120.00  140
  6  ω    -14.00  25.00   0.50    1.03    --   47.82 -19.00-180.00   78
  7  ω    -20.00  21.00   0.50    1.03    --   47.82 -19.00 150.00   82
  8  ω   -154.00-128.00   0.50    4.11    --  -86.25-125.00 -90.00   52
  9  ω   -158.00 -76.00   0.50    4.11    --  -86.25 -45.00 150.00  164
 10  ω   -158.00 -78.00   0.50    4.11    --  -86.25 -45.00 120.00  160
 11  ω    -51.00 -22.00   0.50    4.11    --  -86.25  45.00 120.00   58
 12  ω   -108.00 -76.00   0.50    4.11    --  -86.25-125.00 -90.00   64
 13  ω   -152.00-127.00   0.50    4.11    --  -86.25 -45.00   0.00   50
 14  ω     34.00 111.00   0.50    4.11    --  106.49-125.00-120.00  154
 15  ω     74.00 100.00   0.50    4.11    --  106.49 -94.00 150.00   52
 16  ω     95.00 176.00   0.50    4.11    --  106.49 125.00-180.00  162
 17  ω     95.00 121.00   0.50    4.11    --  106.49 125.00 120.00   52
 18  ω     36.00 107.00   0.50    4.11    --  106.49-106.00 129.36  142
 19  ω     60.00 111.00   0.50    4.11    --  106.49-125.00 -60.00  102
 20  ω     37.00  64.00   0.50    4.11    --  106.49 -61.00-150.00   54
 21  ω     35.00  61.00   0.50    4.11    --  106.49 -94.00-180.00   52
 22  ω     94.00 176.00   0.50    4.11    --  106.49  45.00 -90.00  164
 23  ω     71.00 111.00   0.50    4.11    --  106.49-125.00 120.00   80
 24  ω     37.00  62.00   0.50    4.11    --  106.49 -61.00 150.00   50
 25  ω    139.00 177.00   0.50    4.11    --  106.49 125.00 120.00   76
 26  ω     36.00  61.00   0.50    4.11    --  106.49 -94.00 150.00   50
 27  ω     42.00  67.00   0.50    4.11    --  106.49-125.00 120.00   50
 28  ω    147.00 173.00   0.50    4.11    --  106.49  45.00   0.00   52
 29  ω     37.00  63.00   0.50    4.11    --  106.49 -61.00 -60.00   52
 30  ω     40.00 103.00   0.50    4.11    --  106.49 -94.00 -30.00  126
 31  ω     94.00 142.00   0.50    4.11    --  106.49  15.00  60.00   96
 32  ω     98.00 157.00   0.50    4.11    --  106.49  30.00 -30.00  118
 33  ω     96.00 146.00   0.50    4.11    --  106.49  45.00   0.00  100
 34  ω     80.00 111.00   0.50    4.11    --  106.49-125.00 -90.00   62
 35  ω    149.00 174.00   0.50    4.11    --  106.49  15.00  60.00   50
 36  ω     37.00  71.00   0.50    4.11    --  106.49-125.00 -90.00   68
 37  ω     46.00  71.00   0.50    4.11    --  106.49 -94.00  30.00   50
 38  ω     80.00 105.00   0.50    4.11    --  106.49 -94.00  30.00   50
 39  ω     79.00 107.00   0.50    4.11    --  106.49-105.00 -57.05   56
 40  ω     67.00  92.00   0.50    4.11    --  106.49 -94.00 120.00   50
 41  ω     40.00  76.00   0.50    4.11    --  106.49-105.00 -57.05   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0633941000
_diffrn_orient_matrix_UB_12      -0.0647828000
_diffrn_orient_matrix_UB_13      -0.0813919000
_diffrn_orient_matrix_UB_21      -0.0677175000
_diffrn_orient_matrix_UB_22      -0.0273059000
_diffrn_orient_matrix_UB_23      0.0920379000
_diffrn_orient_matrix_UB_31      -0.0558010000
_diffrn_orient_matrix_UB_32      0.1067677000
_diffrn_orient_matrix_UB_33      -0.0258414000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3642
_reflns_number_total             4256
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.41.49a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.41.49a (Rigaku OD, 2019)'
_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    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       0.0034(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         4256
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0505
_refine_ls_restrained_S_all      1.098
_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)+(0.0802P)²+0.2449P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1603
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 H1-H8B
 2 with sigma of 0.02
 H9B-H1 \\sim H1-H8B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N1) \\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 N1, C17
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Riding coordinates:
 O1(H1)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C13(H13), C14(H14), C15(H15), C16(H16), C19(H19), C20(H20),
 C21(H21), C22(H22)
5.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C24(H24A,H24B,H24C),
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_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 1.47918(13) 0.02229(12) -0.25015(13) 0.0724(4) Uani 1 1 d . . . . .
H1 H 1.443891 -0.050654 -0.234581 0.109 Uiso 1 1 d DR U . . .
N1 N 0.80669(15) 0.64523(15) -0.20067(12) 0.0558(4) Uani 1 1 d . U . . .
C1 C 1.36411(16) 0.13622(15) -0.24995(13) 0.0455(4) Uani 1 1 d . . . . .
C2 C 1.22579(15) 0.10891(14) -0.21715(11) 0.0410(3) Uani 1 1 d . . . . .
C3 C 1.11278(15) 0.22699(15) -0.21877(11) 0.0401(3) Uani 1 1 d . . . . .
H3 H 1.019779 0.211980 -0.198232 0.048 Uiso 1 1 calc R U . . .
C4 C 1.13358(14) 0.36652(14) -0.24990(11) 0.0390(3) Uani 1 1 d . . . . .
C5 C 1.27308(15) 0.38698(14) -0.28115(11) 0.0401(3) Uani 1 1 d . . . . .
H5 H 1.288166 0.479963 -0.301662 0.048 Uiso 1 1 calc R U . . .
C6 C 1.39095(15) 0.27416(15) -0.28299(11) 0.0410(3) Uani 1 1 d . . . . .
C7 C 1.20011(18) -0.04249(16) -0.17712(14) 0.0503(4) Uani 1 1 d . . . . .
C8 C 1.2511(3) -0.1602(2) -0.26166(19) 0.0813(6) Uani 1 1 d . . . . .
H8A H 1.187051 -0.230859 -0.259215 0.122 Uiso 1 1 calc R U . . .
H8B H 1.348111 -0.206947 -0.245462 0.122 Uiso 1 1 calc DR U . . .
H8C H 1.250090 -0.116142 -0.333112 0.122 Uiso 1 1 calc R U . . .
C9 C 1.2803(2) -0.0801(2) -0.06919(16) 0.0671(5) Uani 1 1 d . . . . .
H9A H 1.242648 -0.009393 -0.015665 0.101 Uiso 1 1 calc R U . . .
H9B H 1.382286 -0.079454 -0.080722 0.101 Uiso 1 1 calc DR U . . .
H9C H 1.265811 -0.174855 -0.043922 0.101 Uiso 1 1 calc R U . . .
C10 C 1.0382(2) -0.0457(2) -0.15523(19) 0.0691(5) Uani 1 1 d . . . . .
H10A H 1.001799 0.024581 -0.101111 0.104 Uiso 1 1 calc R U . . .
H10B H 1.025961 -0.140879 -0.129460 0.104 Uiso 1 1 calc R U . . .
H10C H 0.985597 -0.022773 -0.221421 0.104 Uiso 1 1 calc R U . . .
C11 C 1.01141(15) 0.48896(14) -0.25012(12) 0.0406(3) Uani 1 1 d . . . . .
C12 C 0.90094(15) 0.51810(15) -0.16917(12) 0.0421(3) Uani 1 1 d . . . . .
C13 C 0.87123(17) 0.45177(17) -0.06868(13) 0.0495(4) Uani 1 1 d . . . . .
H13 H 0.930943 0.367384 -0.045203 0.059 Uiso 1 1 calc R U . . .
C14 C 0.7550(2) 0.5113(2) -0.00596(14) 0.0613(5) Uani 1 1 d . . . . .
H14 H 0.735704 0.466644 0.059954 0.074 Uiso 1 1 calc R U . . .
C15 C 0.6642(2) 0.6392(2) -0.03967(17) 0.0746(6) Uani 1 1 d . . . . .
H15 H 0.585475 0.678361 0.004179 0.090 Uiso 1 1 calc R U . . .
C16 C 0.6899(2) 0.7059(2) -0.13502(17) 0.0702(5) Uani 1 1 d . . . . .
H16 H 0.630316 0.791398 -0.156554 0.084 Uiso 1 1 calc R U . . .
C17 C 0.85501(15) 0.69366(15) -0.29974(12) 0.0429(3) Uani 1 1 d . U . . .
C18 C 0.98181(15) 0.59885(14) -0.33055(12) 0.0420(3) Uani 1 1 d . . . . .
C19 C 0.7940(2) 0.8102(2) -0.36403(17) 0.0701(5) Uani 1 1 d . . . . .
H19 H 0.708862 0.869836 -0.341942 0.084 Uiso 1 1 calc R U . . .
C20 C 1.04834(17) 0.62842(17) -0.43148(13) 0.0493(4) Uani 1 1 d . . . . .
H20 H 1.132481 0.568432 -0.455079 0.059 Uiso 1 1 calc R U . . .
C21 C 0.9890(2) 0.7448(2) -0.49402(15) 0.0617(5) Uani 1 1 d . . . . .
H21 H 1.033869 0.764235 -0.559827 0.074 Uiso 1 1 calc R U . . .
C22 C 0.8609(3) 0.8359(2) -0.46031(17) 0.0750(6) Uani 1 1 d . . . . .
H22 H 0.821526 0.914414 -0.504276 0.090 Uiso 1 1 calc R U . . .
C23 C 1.54273(16) 0.29959(18) -0.32310(14) 0.0502(4) Uani 1 1 d . . . . .
C24 C 1.6600(2) 0.2481(3) -0.23818(19) 0.0812(6) Uani 1 1 d . . . . .
H24A H 1.751454 0.271563 -0.263738 0.122 Uiso 1 1 calc R U . . .
H24B H 1.668692 0.144828 -0.227303 0.122 Uiso 1 1 calc R U . . .
H24C H 1.632958 0.295844 -0.170488 0.122 Uiso 1 1 calc R U . . .
C25 C 1.5798(2) 0.2199(2) -0.43089(16) 0.0674(5) Uani 1 1 d . . . . .
H25A H 1.507806 0.256355 -0.483813 0.101 Uiso 1 1 calc R U . . .
H25B H 1.580997 0.117625 -0.419153 0.101 Uiso 1 1 calc R U . . .
H25C H 1.673640 0.235953 -0.457070 0.101 Uiso 1 1 calc R U . . .
C26 C 1.5459(2) 0.4614(2) -0.34465(19) 0.0688(5) Uani 1 1 d . . . . .
H26A H 1.476395 0.497777 -0.399340 0.103 Uiso 1 1 calc R U . . .
H26B H 1.641365 0.473933 -0.369553 0.103 Uiso 1 1 calc R U . . .
H26C H 1.521827 0.513998 -0.278554 0.103 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 H1 0.8207 . ?
O1 C1 1.3799(17) . ?
N1 C12 1.4067(19) . ?
N1 C16 1.391(2) . ?
N1 C17 1.381(2) . ?
C1 C2 1.405(2) . ?
C1 C6 1.401(2) . ?
C2 C3 1.3930(19) . ?
C2 C7 1.5396(19) . ?
C3 H3 0.9300 . ?
C3 C4 1.3916(19) . ?
C4 C5 1.3907(19) . ?
C4 C11 1.4739(18) . ?
C5 H5 0.9300 . ?
C5 C6 1.3906(19) . ?
C6 C23 1.5424(19) . ?
C7 C8 1.537(2) . ?
C7 C9 1.540(3) . ?
C7 C10 1.533(2) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.4136(19) . ?
C11 C18 1.406(2) . ?
C12 C13 1.411(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.364(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.404(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.350(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.4047(19) . ?
C17 C19 1.380(2) . ?
C18 C20 1.416(2) . ?
C19 H19 0.9300 . ?
C19 C22 1.360(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.363(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.407(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.538(2) . ?
C23 C25 1.536(2) . ?
C23 C26 1.532(2) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
C1 O1 H1 105.7 . . ?
C16 N1 C12 121.80(15) . . ?
C17 N1 C12 108.52(12) . . ?
C17 N1 C16 129.64(14) . . ?
O1 C1 C2 118.78(13) . . ?
O1 C1 C6 118.19(13) . . ?
C6 C1 C2 123.02(13) . . ?
C1 C2 C7 122.04(12) . . ?
C3 C2 C1 116.79(12) . . ?
C3 C2 C7 121.13(13) . . ?
C2 C3 H3 118.7 . . ?
C4 C3 C2 122.58(13) . . ?
C4 C3 H3 118.7 . . ?
C3 C4 C11 121.04(12) . . ?
C5 C4 C3 118.01(12) . . ?
C5 C4 C11 120.95(12) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 C4 122.73(13) . . ?
C6 C5 H5 118.6 . . ?
C1 C6 C23 121.84(12) . . ?
C5 C6 C1 116.86(13) . . ?
C5 C6 C23 121.27(13) . . ?
C2 C7 C9 108.80(14) . . ?
C8 C7 C2 112.04(14) . . ?
C8 C7 C9 110.36(16) . . ?
C10 C7 C2 111.47(13) . . ?
C10 C7 C8 106.34(16) . . ?
C10 C7 C9 107.73(15) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C4 126.39(13) . . ?
C18 C11 C4 126.84(13) . . ?
C18 C11 C12 106.77(12) . . ?
N1 C12 C11 108.01(13) . . ?
N1 C12 C13 117.48(13) . . ?
C13 C12 C11 134.47(13) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.05(15) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.81(17) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.70(17) . . ?
C16 C15 H15 119.7 . . ?
N1 C16 H16 120.4 . . ?
C15 C16 N1 119.14(17) . . ?
C15 C16 H16 120.4 . . ?
N1 C17 C18 108.05(12) . . ?
C19 C17 N1 129.17(14) . . ?
C19 C17 C18 122.75(15) . . ?
C11 C18 C20 134.23(13) . . ?
C17 C18 C11 108.63(13) . . ?
C17 C18 C20 117.11(13) . . ?
C17 C19 H19 120.7 . . ?
C22 C19 C17 118.67(17) . . ?
C22 C19 H19 120.7 . . ?
C18 C20 H20 120.0 . . ?
C21 C20 C18 119.99(15) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.6 . . ?
C20 C21 C22 120.87(17) . . ?
C22 C21 H21 119.6 . . ?
C19 C22 C21 120.59(17) . . ?
C19 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C6 111.81(14) . . ?
C25 C23 C6 108.76(14) . . ?
C25 C23 C24 110.62(16) . . ?
C26 C23 C6 111.31(12) . . ?
C26 C23 C24 106.45(16) . . ?
C26 C23 C25 107.81(15) . . ?
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 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 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
O1 C1 C2 C3 -179.68(14) . . . . ?
O1 C1 C2 C7 2.5(2) . . . . ?
O1 C1 C6 C5 -179.53(14) . . . . ?
O1 C1 C6 C23 2.4(2) . . . . ?
N1 C12 C13 C14 -0.2(2) . . . . ?
N1 C17 C18 C11 0.80(17) . . . . ?
N1 C17 C18 C20 179.21(13) . . . . ?
N1 C17 C19 C22 -179.06(19) . . . . ?
C1 C2 C3 C4 -0.7(2) . . . . ?
C1 C2 C7 C8 -56.4(2) . . . . ?
C1 C2 C7 C9 65.93(19) . . . . ?
C1 C2 C7 C10 -175.40(16) . . . . ?
C1 C6 C23 C24 -56.1(2) . . . . ?
C1 C6 C23 C25 66.34(19) . . . . ?
C1 C6 C23 C26 -175.03(16) . . . . ?
C2 C1 C6 C5 0.7(2) . . . . ?
C2 C1 C6 C23 -177.43(14) . . . . ?
C2 C3 C4 C5 0.5(2) . . . . ?
C2 C3 C4 C11 -179.72(13) . . . . ?
C3 C2 C7 C8 125.94(17) . . . . ?
C3 C2 C7 C9 -111.76(16) . . . . ?
C3 C2 C7 C10 6.9(2) . . . . ?
C3 C4 C5 C6 0.4(2) . . . . ?
C3 C4 C11 C12 42.3(2) . . . . ?
C3 C4 C11 C18 -137.49(15) . . . . ?
C4 C5 C6 C1 -0.9(2) . . . . ?
C4 C5 C6 C23 177.19(13) . . . . ?
C4 C11 C12 N1 179.68(13) . . . . ?
C4 C11 C12 C13 1.8(3) . . . . ?
C4 C11 C18 C17 179.65(13) . . . . ?
C4 C11 C18 C20 1.6(3) . . . . ?
C5 C4 C11 C12 -137.87(15) . . . . ?
C5 C4 C11 C18 42.3(2) . . . . ?
C5 C6 C23 C24 125.86(17) . . . . ?
C5 C6 C23 C25 -111.69(16) . . . . ?
C5 C6 C23 C26 6.9(2) . . . . ?
C6 C1 C2 C3 0.1(2) . . . . ?
C6 C1 C2 C7 -177.69(14) . . . . ?
C7 C2 C3 C4 177.12(13) . . . . ?
C11 C4 C5 C6 -179.42(13) . . . . ?
C11 C12 C13 C14 177.58(16) . . . . ?
C11 C18 C20 C21 177.91(17) . . . . ?
C12 N1 C16 C15 -1.6(3) . . . . ?
C12 N1 C17 C18 -1.08(17) . . . . ?
C12 N1 C17 C19 176.98(18) . . . . ?
C12 C11 C18 C17 -0.20(16) . . . . ?
C12 C11 C18 C20 -178.22(16) . . . . ?
C12 C13 C14 C15 -0.4(3) . . . . ?
C13 C14 C15 C16 0.1(3) . . . . ?
C14 C15 C16 N1 0.9(3) . . . . ?
C16 N1 C12 C11 -177.11(16) . . . . ?
C16 N1 C12 C13 1.2(2) . . . . ?
C16 N1 C17 C18 176.80(18) . . . . ?
C16 N1 C17 C19 -5.1(3) . . . . ?
C17 N1 C12 C11 0.97(17) . . . . ?
C17 N1 C12 C13 179.30(13) . . . . ?
C17 N1 C16 C15 -179.23(19) . . . . ?
C17 C18 C20 C21 0.0(2) . . . . ?
C17 C19 C22 C21 0.5(3) . . . . ?
C18 C11 C12 N1 -0.46(16) . . . . ?
C18 C11 C12 C13 -178.39(16) . . . . ?
C18 C17 C19 C22 -1.3(3) . . . . ?
C18 C20 C21 C22 -0.7(3) . . . . ?
C19 C17 C18 C11 -177.42(17) . . . . ?
C19 C17 C18 C20 1.0(2) . . . . ?
C20 C21 C22 C19 0.5(3) . . . . ?

_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 1.327
_oxdiff_exptl_absorpt_empirical_full_min 0.723
