# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_q
_database_code_depnum_ccdc_archive 'CCDC 2495915'
loop_
_audit_author_name
_audit_author_address
wu
;Sun Yat sen
China
;
_audit_update_record             
;
2025-10-16 deposited with the CCDC.	2026-03-23 downloaded from the CCDC.
;
_audit_creation_date             2025-09-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C26 H26 N2 O'
_chemical_formula_sum            'C26 H26 N2 O'
_chemical_formula_weight         382.49
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         C26H26N2O
_chemical_oxdiff_usercomment     QLQ-
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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 '-x, y+1/2, -z+1/2'
4 'x+1/2, -y+1/2, -z'

_cell_length_a                   8.42816(5)
_cell_length_b                   11.09278(9)
_cell_length_c                   22.92566(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2143.36(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    59712
_cell_measurement_temperature    293.5(5)
_cell_measurement_theta_max      75.9210
_cell_measurement_theta_min      3.8563
_exptl_absorpt_coefficient_mu    0.561
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62352
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.045
_exptl_crystal_size_mid          0.032
_exptl_crystal_size_min          0.028
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            70844
_diffrn_reflns_theta_full        76.21
_diffrn_reflns_theta_max         76.21
_diffrn_reflns_theta_min         3.86
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.5(5)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2913
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -66.00  33.00   1.00    1.00    --  -41.14  38.00  30.00   99
  2  ω      6.00  81.00   1.00    1.00    --   41.14 -99.00 -90.00   75
  3  ω    -31.00  69.00   1.00    1.00    --   41.14 -57.00-180.00  100
  4  ω     27.00  95.00   1.00    1.00    --   41.14-125.00   0.00   68
  5  ω     84.00 178.00   1.00    3.00    --  112.00  30.00  90.00   94
  6  ω    104.00 178.00   1.00    3.00    --  112.00 111.00 -30.00   74
  7  ω    103.00 178.00   1.00    3.00    --  112.00  77.00   0.00   75
  8  ω     36.00 145.00   1.00    3.00    --  112.00 -77.00  60.00  109
  9  ω     39.00 109.00   1.00    3.00    --  112.00-111.00 -30.00   70
 10  ω    103.00 178.00   1.00    3.00    --  112.00  77.00 150.00   75
 11  ω     39.00 109.00   1.00    3.00    --  112.00-114.00  73.00   70
 12  ω     58.00 151.00   1.00    3.00    --  112.00-178.00   0.00   93
 13  ω     40.00 141.00   1.00    3.00    --  112.00 -61.00-120.00  101
 14  ω   -114.00 -13.00   1.00    1.00    --  -41.14 -57.00 150.00  101
 15  ω   -114.00 -13.00   1.00    1.00    --  -41.14 -57.00 -90.00  101
 16  ω   -114.00 -13.00   1.00    1.00    --  -41.14 -57.00  30.00  101
 17  ω     84.00 144.00   1.00    3.00    --  112.00  30.00   0.00   60
 18  ω     59.00 178.00   1.00    3.00    --  112.00  15.00-150.00  119
 19  ω     59.00 178.00   1.00    3.00    --  112.00  15.00 -60.00  119
 20  ω   -114.00 -13.00   1.00    1.00    --  -41.52 -57.00-150.00  101
 21  ω   -114.00 -13.00   1.00    1.00    --  -41.52 -57.00  90.00  101
 22  ω   -114.00 -19.00   1.00    1.00    --  -41.52 -57.00 -30.00   95
 23  ω    -87.00  -6.00   1.00    1.00    --  -41.52 125.00  60.00   81
 24  ω   -122.00  -1.00   1.00    1.00    --  -41.52 -19.00  30.00  121
 25  ω   -116.00 -17.00   1.00    1.00    --  -41.52 -38.00-150.00   99
 26  ω   -114.00 -13.00   1.00    1.00    --  -41.52 -57.00   0.00  101
 27  ω   -116.00 -17.00   1.00    1.00    --  -41.52 -38.00-120.00   99
 28  ω   -116.00 -17.00   1.00    1.00    --  -41.52 -38.00  30.00   99
 29  ω   -122.00  -1.00   1.00    1.00    --  -41.52 -19.00  90.00  121
 30  ω   -116.00 -17.00   1.00    1.00    --  -41.52 -38.00 -90.00   99
 31  ω      6.00  81.00   1.00    1.00    --   41.52 -99.00  60.00   75
 32  ω   -116.00 -17.00   1.00    2.00    --  -41.52 -38.00 120.00   99
 33  ω   -114.00 -13.00   1.00    2.00    --  -41.52 -57.00 120.00  101
 34  ω   -116.00 -17.00   1.00    2.00    --  -41.52 -38.00 -30.00   99
 35  ω     13.00 114.00   1.00    2.00    --   41.52  57.00 -90.00  101
 36  ω     13.00 114.00   1.00    2.00    --   41.52  57.00-120.00  101
 37  ω     13.00 114.00   1.00    2.00    --   41.52  57.00  30.00  101
 38  ω    -47.00   5.00   1.00    2.00    --   41.52   0.00-180.00   52
 39  ω     13.00 114.00   1.00    2.00    --   41.52  57.00-180.00  101
 40  ω     27.00  96.00   1.00    2.00    --   41.52-125.00 150.00   69
 41  ω   -130.00  45.00   1.00    4.00    --  -41.52   0.00-150.00  175
 42  ω   -130.00  47.00   1.00    5.00    --  -41.52   0.00-180.00  177
 43  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00-120.00  177
 44  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 -60.00  177
 45  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 -30.00  177
 46  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00   0.00  177
 47  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00  60.00  177
 48  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00  30.00  177
 49  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00  90.00  177
 50  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 120.00  177
 51  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 150.00  177
 52  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 -90.00  177
 53  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00-150.00  177
 54  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00-180.00  177
 55  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00-150.00  177
 56  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00-120.00  177
 57  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 -90.00  177
 58  ω    -47.00 130.00   1.00    5.00    --   41.52   0.00 -60.00  177
 59  ω    -47.00  66.00   1.00    5.00    --   41.52   0.00 -30.00  113
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0876466000
_diffrn_orient_matrix_UB_12      0.0756726000
_diffrn_orient_matrix_UB_13      -0.0462368000
_diffrn_orient_matrix_UB_21      0.1573328000
_diffrn_orient_matrix_UB_22      0.0191980000
_diffrn_orient_matrix_UB_23      -0.0329448000
_diffrn_orient_matrix_UB_31      -0.0314143000
_diffrn_orient_matrix_UB_32      -0.1148341000
_diffrn_orient_matrix_UB_33      -0.0359478000
_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              'SuperNova (Cu) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4250
_reflns_number_total             4394
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.174
_refine_diff_density_min         -0.120
_refine_diff_density_rms         0.030
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(3)
_refine_ls_extinction_coef       0.0092(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4394
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0370
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0653P)²+0.1515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1028
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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:
 C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C13(H13A,H13B), C20(H20A,H20B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C6(H6), C7(H7), C11(H11), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
2.d X=CH2 refined with riding coordinates:
 C12(H12A,H12B)
2.e Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.50213(15) 0.85787(10) 0.67037(5) 0.0654(3) Uani 1 1 d . . .
N1 N 0.65920(13) 0.69634(10) 0.68585(4) 0.0438(2) Uani 1 1 d . . .
N2 N 0.63967(13) 0.68432(9) 0.80901(4) 0.0389(2) Uani 1 1 d . . .
C1 C 0.60537(17) 0.80680(12) 0.69916(5) 0.0443(3) Uani 1 1 d . . .
C2 C 0.67613(15) 0.86656(11) 0.75145(5) 0.0414(3) Uani 1 1 d . . .
C3 C 0.68940(14) 0.80571(11) 0.80542(5) 0.0381(3) Uani 1 1 d . . .
C4 C 0.74033(15) 0.87173(12) 0.85352(6) 0.0452(3) Uani 1 1 d . . .
H4 H 0.7443 0.8340 0.8897 0.054 Uiso 1 1 calc R . .
C5 C 0.78539(16) 0.99175(13) 0.84946(7) 0.0520(3) Uani 1 1 d . . .
C6 C 0.77386(18) 1.04854(13) 0.79579(7) 0.0551(4) Uani 1 1 d . . .
H6 H 0.8040 1.1288 0.7921 0.066 Uiso 1 1 calc R . .
C7 C 0.71822(17) 0.98705(12) 0.74787(7) 0.0496(3) Uani 1 1 d . . .
H7 H 0.7087 1.0271 0.7124 0.060 Uiso 1 1 calc R . .
C8 C 0.8448(2) 1.05856(18) 0.90229(9) 0.0751(5) Uani 1 1 d . . .
H8A H 0.7971 1.0253 0.9367 0.113 Uiso 1 1 calc R . .
H8B H 0.8172 1.1423 0.8991 0.113 Uiso 1 1 calc R . .
H8C H 0.9580 1.0507 0.9048 0.113 Uiso 1 1 calc R . .
C9 C 0.73337(15) 0.59203(11) 0.77734(6) 0.0402(3) Uani 1 1 d . . .
H9 H 0.6640 0.5229 0.7698 0.048 Uiso 1 1 calc R . .
C10 C 0.78781(16) 0.64187(12) 0.71887(6) 0.0441(3) Uani 1 1 d . . .
H10A H 0.8697 0.7018 0.7255 0.053 Uiso 1 1 calc R . .
H10B H 0.8340 0.5771 0.6961 0.053 Uiso 1 1 calc R . .
C11 C 0.87463(18) 0.54787(15) 0.81150(6) 0.0548(4) Uani 1 1 d . . .
H11 H 0.9539 0.6032 0.8204 0.066 Uiso 1 1 calc R . .
C12 C 0.8931(3) 0.4380(2) 0.82934(10) 0.0856(6) Uani 1 1 d . . .
H12A H 0.8160 0.3804 0.8212 0.103 Uiso 1 1 calc R . .
H12B H 0.9833 0.4167 0.8503 0.103 Uiso 1 1 calc R . .
C13 C 0.58547(17) 0.62745(13) 0.63924(6) 0.0475(3) Uani 1 1 d . . .
H13A H 0.4796 0.6588 0.6326 0.057 Uiso 1 1 calc R . .
H13B H 0.5748 0.5444 0.6518 0.057 Uiso 1 1 calc R . .
C14 C 0.67537(16) 0.62981(13) 0.58239(5) 0.0446(3) Uani 1 1 d . . .
C15 C 0.7722(2) 0.72460(16) 0.56658(7) 0.0598(4) Uani 1 1 d . . .
H15 H 0.7863 0.7889 0.5921 0.072 Uiso 1 1 calc R . .
C16 C 0.8486(2) 0.7247(2) 0.51293(8) 0.0785(6) Uani 1 1 d . . .
H16 H 0.9158 0.7881 0.5032 0.094 Uiso 1 1 calc R . .
C17 C 0.8258(3) 0.6325(2) 0.47446(8) 0.0905(7) Uani 1 1 d . . .
H17 H 0.8759 0.6333 0.4383 0.109 Uiso 1 1 calc R . .
C18 C 0.7290(3) 0.5394(2) 0.48961(8) 0.0918(7) Uani 1 1 d . . .
H18 H 0.7117 0.4770 0.4633 0.110 Uiso 1 1 calc R . .
C19 C 0.6561(2) 0.53646(15) 0.54346(7) 0.0649(4) Uani 1 1 d . . .
H19 H 0.5933 0.4708 0.5536 0.078 Uiso 1 1 calc R . .
C20 C 0.58085(16) 0.64057(12) 0.86478(5) 0.0431(3) Uani 1 1 d . . .
H20A H 0.6579 0.6603 0.8947 0.052 Uiso 1 1 calc R . .
H20B H 0.5728 0.5534 0.8630 0.052 Uiso 1 1 calc R . .
C21 C 0.42195(16) 0.69105(12) 0.88256(6) 0.0436(3) Uani 1 1 d . . .
C22 C 0.3643(2) 0.66335(19) 0.93736(7) 0.0686(5) Uani 1 1 d . . .
H22 H 0.4274 0.6197 0.9631 0.082 Uiso 1 1 calc R . .
C23 C 0.2139(2) 0.6994(3) 0.95481(9) 0.0877(7) Uani 1 1 d . . .
H23 H 0.1765 0.6788 0.9916 0.105 Uiso 1 1 calc R . .
C24 C 0.1210(2) 0.7652(2) 0.91783(9) 0.0773(5) Uani 1 1 d . . .
H24 H 0.0201 0.7892 0.9294 0.093 Uiso 1 1 calc R . .
C25 C 0.17614(19) 0.79549(16) 0.86391(8) 0.0627(4) Uani 1 1 d . . .
H25 H 0.1131 0.8409 0.8389 0.075 Uiso 1 1 calc R . .
C26 C 0.32660(17) 0.75866(12) 0.84616(6) 0.0491(3) Uani 1 1 d . . .
H26 H 0.3633 0.7799 0.8093 0.059 Uiso 1 1 calc R . .


_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 C1 1.2303(16) . ?
N1 C1 1.3418(17) . ?
N1 C10 1.4538(17) . ?
N1 C13 1.4533(17) . ?
N2 C3 1.4126(16) . ?
N2 C9 1.4829(15) . ?
N2 C20 1.4547(16) . ?
C1 C2 1.4941(19) . ?
C2 C3 1.4138(17) . ?
C2 C7 1.3852(18) . ?
C3 C4 1.3917(18) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(2) . ?
C5 C6 1.386(2) . ?
C5 C8 1.506(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.376(2) . ?
C7 H7 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9 0.9800 . ?
C9 C10 1.5208(18) . ?
C9 C11 1.5069(19) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11 0.9300 . ?
C11 C12 1.295(3) . ?
C12 H12A 0.9300 . ?
C12 H12B 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.5077(18) . ?
C14 C15 1.379(2) . ?
C14 C19 1.377(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.389(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.364(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.362(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.379(3) . ?
C19 H19 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.5078(19) . ?
C21 C22 1.382(2) . ?
C21 C26 1.380(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.388(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.365(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.363(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.393(2) . ?
C26 H26 0.9300 . ?

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 N1 C10 120.88(11) . . ?
C1 N1 C13 120.19(12) . . ?
C13 N1 C10 118.90(11) . . ?
C3 N2 C9 118.13(10) . . ?
C3 N2 C20 118.06(10) . . ?
C20 N2 C9 112.43(10) . . ?
O1 C1 N1 122.52(13) . . ?
O1 C1 C2 120.56(12) . . ?
N1 C1 C2 116.92(11) . . ?
C3 C2 C1 121.46(11) . . ?
C7 C2 C1 118.86(12) . . ?
C7 C2 C3 119.49(13) . . ?
N2 C3 C2 118.86(11) . . ?
C4 C3 N2 123.16(12) . . ?
C4 C3 C2 117.81(12) . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.43(13) . . ?
C5 C4 H4 118.8 . . ?
C4 C5 C8 120.62(15) . . ?
C6 C5 C4 118.46(13) . . ?
C6 C5 C8 120.92(15) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.51(13) . . ?
C7 C6 H6 119.7 . . ?
C2 C7 H7 119.4 . . ?
C6 C7 C2 121.22(14) . . ?
C6 C7 H7 119.4 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 H9 108.0 . . ?
N2 C9 C10 109.95(9) . . ?
N2 C9 C11 113.00(10) . . ?
C10 C9 H9 108.0 . . ?
C11 C9 H9 108.0 . . ?
C11 C9 C10 109.75(11) . . ?
N1 C10 C9 112.66(10) . . ?
N1 C10 H10A 109.1 . . ?
N1 C10 H10B 109.1 . . ?
C9 C10 H10A 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C9 C11 H11 117.8 . . ?
C12 C11 C9 124.39(18) . . ?
C12 C11 H11 117.8 . . ?
C11 C12 H12A 120.0 . . ?
C11 C12 H12B 120.0 . . ?
H12A C12 H12B 120.0 . . ?
N1 C13 H13A 108.7 . . ?
N1 C13 H13B 108.7 . . ?
N1 C13 C14 114.30(11) . . ?
H13A C13 H13B 107.6 . . ?
C14 C13 H13A 108.7 . . ?
C14 C13 H13B 108.7 . . ?
C15 C14 C13 122.52(13) . . ?
C19 C14 C13 119.20(14) . . ?
C19 C14 C15 118.22(14) . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.54(17) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.23(17) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.9(2) . . ?
C19 C18 H18 119.6 . . ?
C14 C19 C18 120.65(19) . . ?
C14 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
N2 C20 H20A 108.6 . . ?
N2 C20 H20B 108.6 . . ?
N2 C20 C21 114.61(11) . . ?
H20A C20 H20B 107.6 . . ?
C21 C20 H20A 108.6 . . ?
C21 C20 H20B 108.6 . . ?
C22 C21 C20 118.40(13) . . ?
C26 C21 C20 123.74(12) . . ?
C26 C21 C22 117.77(14) . . ?
C21 C22 H22 119.4 . . ?
C21 C22 C23 121.27(18) . . ?
C23 C22 H22 119.4 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 119.93(18) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 119.96(17) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.21(17) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 120.84(14) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?

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 130.79(14) . . . . ?
O1 C1 C2 C7 -44.22(19) . . . . ?
N1 C1 C2 C3 -48.90(17) . . . . ?
N1 C1 C2 C7 136.08(13) . . . . ?
N1 C13 C14 C15 -27.5(2) . . . . ?
N1 C13 C14 C19 155.15(14) . . . . ?
N2 C3 C4 C5 -178.50(12) . . . . ?
N2 C9 C10 N1 -49.75(14) . . . . ?
N2 C9 C11 C12 116.44(19) . . . . ?
N2 C20 C21 C22 -173.91(13) . . . . ?
N2 C20 C21 C26 9.45(18) . . . . ?
C1 N1 C10 C9 77.74(15) . . . . ?
C1 N1 C13 C14 100.51(15) . . . . ?
C1 C2 C3 N2 2.33(17) . . . . ?
C1 C2 C3 C4 -173.05(11) . . . . ?
C1 C2 C7 C6 175.59(13) . . . . ?
C2 C3 C4 C5 -3.33(19) . . . . ?
C3 N2 C9 C10 -38.55(15) . . . . ?
C3 N2 C9 C11 84.45(14) . . . . ?
C3 N2 C20 C21 70.29(15) . . . . ?
C3 C2 C7 C6 0.5(2) . . . . ?
C3 C4 C5 C6 2.2(2) . . . . ?
C3 C4 C5 C8 -177.99(14) . . . . ?
C4 C5 C6 C7 0.3(2) . . . . ?
C5 C6 C7 C2 -1.6(2) . . . . ?
C7 C2 C3 N2 177.32(11) . . . . ?
C7 C2 C3 C4 1.94(18) . . . . ?
C8 C5 C6 C7 -179.46(14) . . . . ?
C9 N2 C3 C2 68.40(15) . . . . ?
C9 N2 C3 C4 -116.48(13) . . . . ?
C9 N2 C20 C21 -146.77(11) . . . . ?
C10 N1 C1 O1 176.37(13) . . . . ?
C10 N1 C1 C2 -3.94(18) . . . . ?
C10 N1 C13 C14 -81.63(15) . . . . ?
C10 C9 C11 C12 -120.45(18) . . . . ?
C11 C9 C10 N1 -174.64(11) . . . . ?
C13 N1 C1 O1 -5.8(2) . . . . ?
C13 N1 C1 C2 173.88(11) . . . . ?
C13 N1 C10 C9 -100.10(13) . . . . ?
C13 C14 C15 C16 -177.87(15) . . . . ?
C13 C14 C19 C18 176.02(16) . . . . ?
C14 C15 C16 C17 1.7(3) . . . . ?
C15 C14 C19 C18 -1.5(3) . . . . ?
C15 C16 C17 C18 -0.9(3) . . . . ?
C16 C17 C18 C19 -1.0(3) . . . . ?
C17 C18 C19 C14 2.3(3) . . . . ?
C19 C14 C15 C16 -0.5(2) . . . . ?
C20 N2 C3 C2 -150.77(11) . . . . ?
C20 N2 C3 C4 24.35(18) . . . . ?
C20 N2 C9 C10 178.55(11) . . . . ?
C20 N2 C9 C11 -58.46(14) . . . . ?
C20 C21 C22 C23 -175.17(18) . . . . ?
C20 C21 C26 C25 175.45(13) . . . . ?
C21 C22 C23 C24 -1.0(4) . . . . ?
C22 C21 C26 C25 -1.2(2) . . . . ?
C22 C23 C24 C25 -0.2(4) . . . . ?
C23 C24 C25 C26 0.6(3) . . . . ?
C24 C25 C26 C21 0.1(2) . . . . ?
C26 C21 C22 C23 1.7(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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.540
_oxdiff_exptl_absorpt_empirical_full_min 0.695
