# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_9
_database_code_depnum_ccdc_archive 'CCDC 2404845'
loop_
_audit_author_name
_audit_author_address
subfuran
;scut
China
;
_audit_update_record             
;
2024-11-24 deposited with the CCDC.	2025-01-28 downloaded from the CCDC.
;
_audit_creation_date             2024-02-01
_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         'C27 H25 N O2'
_chemical_formula_sum            'C27 H25 N O2'
_chemical_formula_weight         395.48
_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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   19.4648(3)
_cell_length_b                   9.1944(2)
_cell_length_c                   24.2426(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4338.63(14)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7707
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      73.2690
_cell_measurement_theta_min      2.2380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.595
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
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    1.211
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17716
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         73.527
_diffrn_reflns_theta_min         3.646
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     17.00 114.00   1.00    1.01    --   40.73  38.00   0.00   97
  2  ω     85.00 176.00   1.00    2.50    --  106.95  30.00  30.00   91
  3  ω     99.00 175.00   1.00    2.50    --  106.95 125.00  30.00   76
  4  ω     81.00 109.00   1.00    2.50    --  106.95  30.00 120.00   28
  5  ω     33.00  68.00   1.00    2.50    --  106.95 -77.00 -30.00   35
  6  ω     68.00  93.00   1.00    2.50    --  106.95 -94.00 -30.00   25
  7  ω     83.00 140.00   1.00    2.50    --  106.95 -77.00 -30.00   57
  8  ω     51.00 116.00   1.00    2.50    --  106.95-125.00 150.00   65
  9  ω     34.00 124.00   1.00    2.50    --  106.95 -45.00 120.00   90
 10  ω     40.00  66.00   1.00    2.50    --  106.95 -94.00 -30.00   26
 11  ω     29.00  89.00   1.00    1.01    --   40.73-125.00  90.00   60
 12  ω    -50.00   4.00   1.00    1.01    --  -40.73   0.00-180.00   54
 13  ω   -110.00 -75.00   1.00    1.01    --  -40.73   0.00-180.00   35
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0035113000
_diffrn_orient_matrix_UB_12      -0.1600796000
_diffrn_orient_matrix_UB_13      0.0185899000
_diffrn_orient_matrix_UB_21      0.0784987000
_diffrn_orient_matrix_UB_22      0.0131610000
_diffrn_orient_matrix_UB_23      0.0065837000
_diffrn_orient_matrix_UB_31      -0.0096852000
_diffrn_orient_matrix_UB_32      0.0476757000
_diffrn_orient_matrix_UB_33      0.0603918000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3711
_reflns_number_total             4325
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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         0.203
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         4325
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0559
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0923P)²+0.8248P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1481
_refine_ls_wR_factor_ref         0.1566
_refine_special_details          ?
_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 Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C17(H17), C18(H18), C19(H19),
 C20(H20), C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27)
2.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C)
;
_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 0.93094(6) 0.85441(12) 0.51575(5) 0.0422(3) Uani 1 1 d . . . . .
O2 O 0.78541(6) 1.02001(12) 0.66693(5) 0.0476(3) Uani 1 1 d . . . . .
N1 N 0.71312(7) 0.82793(15) 0.67504(6) 0.0426(3) Uani 1 1 d . . . . .
H1 H 0.7089(11) 0.736(3) 0.6660(8) 0.054(5) Uiso 1 1 d . . . . .
C1 C 0.86565(9) 0.6339(2) 0.40132(7) 0.0471(4) Uani 1 1 d . . . . .
C2 C 0.81497(12) 0.6964(2) 0.36877(8) 0.0630(5) Uani 1 1 d . . . . .
H2 H 0.793172 0.783557 0.380416 0.076 Uiso 1 1 calc R U . . .
C3 C 0.79601(15) 0.6321(3) 0.31935(10) 0.0810(8) Uani 1 1 d . . . . .
H3 H 0.761317 0.675750 0.297300 0.097 Uiso 1 1 calc R U . . .
C4 C 0.82722(14) 0.5048(3) 0.30181(9) 0.0789(7) Uani 1 1 d . . . . .
H4 H 0.814667 0.462239 0.267547 0.095 Uiso 1 1 calc R U . . .
C5 C 0.87634(12) 0.4406(3) 0.33422(9) 0.0739(7) Uani 1 1 d . . . . .
H5 H 0.897468 0.352647 0.322590 0.089 Uiso 1 1 calc R U . . .
C6 C 0.89519(9) 0.5033(3) 0.38369(8) 0.0590(5) Uani 1 1 d . . . . .
H6 H 0.928751 0.457076 0.406098 0.071 Uiso 1 1 calc R U . . .
C7 C 0.88804(7) 0.69875(18) 0.45381(7) 0.0406(3) Uani 1 1 d . . . . .
C8 C 0.90941(8) 0.83775(19) 0.46236(7) 0.0448(4) Uani 1 1 d . . . . .
C9 C 0.91642(11) 0.9673(2) 0.42619(8) 0.0584(5) Uani 1 1 d . . . . .
H9A H 0.878899 1.035447 0.433791 0.088 Uiso 1 1 calc R U . . .
H9B H 0.914459 0.936897 0.387471 0.088 Uiso 1 1 calc R U . . .
H9C H 0.960542 1.014942 0.433434 0.088 Uiso 1 1 calc R U . . .
C10 C 0.89704(7) 0.62363(16) 0.50583(6) 0.0369(3) Uani 1 1 d . . . . .
C11 C 0.92330(7) 0.72229(16) 0.54168(6) 0.0378(3) Uani 1 1 d . . . . .
C12 C 0.93925(8) 0.72137(17) 0.60167(6) 0.0399(3) Uani 1 1 d . . . . .
H12A H 0.988178 0.747269 0.606953 0.048 Uiso 1 1 calc R U . . .
H12B H 0.932407 0.621823 0.616234 0.048 Uiso 1 1 calc R U . . .
C13 C 0.89447(7) 0.82757(16) 0.63467(6) 0.0384(3) Uani 1 1 d . . . . .
H13A H 0.905176 0.818535 0.674447 0.046 Uiso 1 1 calc R U . . .
H13B H 0.904753 0.928551 0.623152 0.046 Uiso 1 1 calc R U . . .
C14 C 0.81882(8) 0.79558(17) 0.62521(7) 0.0413(4) Uani 1 1 d . . . . .
H14A H 0.808486 0.806982 0.585455 0.050 Uiso 1 1 calc R U . . .
H14B H 0.809554 0.693114 0.635302 0.050 Uiso 1 1 calc R U . . .
C15 C 0.77153(8) 0.89284(16) 0.65782(6) 0.0382(3) Uani 1 1 d . . . . .
C16 C 0.65600(8) 0.88868(17) 0.70265(6) 0.0396(3) Uani 1 1 d . . . . .
C17 C 0.65818(8) 1.01826(19) 0.73147(7) 0.0472(4) Uani 1 1 d . . . . .
H17 H 0.699470 1.073228 0.732833 0.057 Uiso 1 1 calc R U . . .
C18 C 0.59977(9) 1.0677(2) 0.75842(8) 0.0531(4) Uani 1 1 d . . . . .
H18 H 0.601622 1.156236 0.778584 0.064 Uiso 1 1 calc R U . . .
C19 C 0.53977(10) 0.9913(2) 0.75642(10) 0.0672(6) Uani 1 1 d . . . . .
H19 H 0.500003 1.026148 0.774913 0.081 Uiso 1 1 calc R U . . .
C20 C 0.53769(11) 0.8628(2) 0.72715(14) 0.0851(8) Uani 1 1 d . . . . .
H20 H 0.495981 0.809387 0.725081 0.102 Uiso 1 1 calc R U . . .
C21 C 0.59553(10) 0.8110(2) 0.70088(10) 0.0623(5) Uani 1 1 d . . . . .
H21 H 0.593681 0.721371 0.681462 0.075 Uiso 1 1 calc R U . . .
C22 C 0.87769(7) 0.47111(16) 0.51724(6) 0.0367(3) Uani 1 1 d . . . . .
C23 C 0.81369(7) 0.41844(17) 0.49999(7) 0.0413(3) Uani 1 1 d . . . . .
H23 H 0.782733 0.481483 0.481379 0.050 Uiso 1 1 calc R U . . .
C24 C 0.79509(8) 0.27546(19) 0.50978(7) 0.0472(4) Uani 1 1 d . . . . .
H24 H 0.751352 0.241435 0.498122 0.057 Uiso 1 1 calc R U . . .
C25 C 0.83954(10) 0.18202(19) 0.53633(8) 0.0529(4) Uani 1 1 d . . . . .
H25 H 0.826377 0.084233 0.543301 0.063 Uiso 1 1 calc R U . . .
C26 C 0.90349(10) 0.23172(19) 0.55275(8) 0.0534(4) Uani 1 1 d . . . . .
H26 H 0.934594 0.167476 0.570595 0.064 Uiso 1 1 calc R U . . .
C27 C 0.92226(8) 0.37504(18) 0.54323(7) 0.0442(4) Uani 1 1 d . . . . .
H27 H 0.966277 0.408016 0.554644 0.053 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 1.369(2) . ?
O1 C11 1.3758(18) . ?
O2 C15 1.2203(19) . ?
N1 H1 0.87(2) . ?
N1 C15 1.350(2) . ?
N1 C16 1.4130(19) . ?
C1 C2 1.388(3) . ?
C1 C6 1.398(3) . ?
C1 C7 1.471(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.371(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.381(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.360(2) . ?
C7 C10 1.449(2) . ?
C8 C9 1.485(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.356(2) . ?
C10 C22 1.478(2) . ?
C11 C12 1.487(2) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.534(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.519(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.507(2) . ?
C16 C17 1.382(2) . ?
C16 C21 1.377(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.364(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.379(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.401(2) . ?
C22 C27 1.389(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.379(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.385(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(2) . ?
C27 H27 0.9500 . ?

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
C8 O1 C11 107.46(12) . . ?
C15 N1 H1 115.4(14) . . ?
C15 N1 C16 129.37(13) . . ?
C16 N1 H1 115.1(14) . . ?
C2 C1 C6 118.29(17) . . ?
C2 C1 C7 122.33(17) . . ?
C6 C1 C7 119.37(16) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.3(2) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(2) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.6(2) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(2) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.5 . . ?
C5 C6 C1 121.0(2) . . ?
C5 C6 H6 119.5 . . ?
C8 C7 C1 127.11(15) . . ?
C8 C7 C10 106.16(14) . . ?
C10 C7 C1 126.56(15) . . ?
O1 C8 C9 116.12(15) . . ?
C7 C8 O1 110.05(14) . . ?
C7 C8 C9 133.76(16) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 C22 125.76(14) . . ?
C11 C10 C7 106.54(13) . . ?
C11 C10 C22 127.63(15) . . ?
O1 C11 C12 115.42(13) . . ?
C10 C11 O1 109.78(13) . . ?
C10 C11 C12 134.55(15) . . ?
C11 C12 H12A 109.0 . . ?
C11 C12 H12B 109.0 . . ?
C11 C12 C13 112.82(13) . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 H12A 109.0 . . ?
C13 C12 H12B 109.0 . . ?
C12 C13 H13A 109.6 . . ?
C12 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C14 C13 C12 110.41(12) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
C13 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 C13 113.45(13) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
O2 C15 N1 123.65(14) . . ?
O2 C15 C14 121.88(14) . . ?
N1 C15 C14 114.47(13) . . ?
C17 C16 N1 123.79(14) . . ?
C21 C16 N1 116.92(14) . . ?
C21 C16 C17 119.27(15) . . ?
C16 C17 H17 120.2 . . ?
C16 C17 C18 119.70(16) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.07(17) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.00(17) . . ?
C20 C19 H19 120.5 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.64(19) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 120.31(18) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C10 119.92(14) . . ?
C27 C22 C10 121.94(13) . . ?
C27 C22 C23 118.11(14) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.65(15) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.52(15) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.2 . . ?
C24 C25 C26 119.52(16) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.17(16) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 H27 119.5 . . ?
C26 C27 C22 121.01(15) . . ?
C26 C27 H27 119.5 . . ?

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 C11 C12 C13 59.00(17) . . . . ?
N1 C16 C17 C18 -178.49(16) . . . . ?
N1 C16 C21 C20 179.6(2) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
C1 C7 C8 O1 -175.46(15) . . . . ?
C1 C7 C8 C9 1.6(3) . . . . ?
C1 C7 C10 C11 175.24(15) . . . . ?
C1 C7 C10 C22 -7.5(2) . . . . ?
C2 C1 C6 C5 2.3(3) . . . . ?
C2 C1 C7 C8 -52.8(2) . . . . ?
C2 C1 C7 C10 132.66(18) . . . . ?
C2 C3 C4 C5 1.2(4) . . . . ?
C3 C4 C5 C6 -0.8(4) . . . . ?
C4 C5 C6 C1 -1.0(3) . . . . ?
C6 C1 C2 C3 -1.8(3) . . . . ?
C6 C1 C7 C8 128.41(19) . . . . ?
C6 C1 C7 C10 -46.1(2) . . . . ?
C7 C1 C2 C3 179.36(19) . . . . ?
C7 C1 C6 C5 -178.86(18) . . . . ?
C7 C10 C11 O1 0.40(15) . . . . ?
C7 C10 C11 C12 174.28(16) . . . . ?
C7 C10 C22 C23 -45.3(2) . . . . ?
C7 C10 C22 C27 132.40(16) . . . . ?
C8 O1 C11 C10 -0.42(16) . . . . ?
C8 O1 C11 C12 -175.60(13) . . . . ?
C8 C7 C10 C11 -0.23(16) . . . . ?
C8 C7 C10 C22 177.03(14) . . . . ?
C10 C7 C8 O1 -0.03(17) . . . . ?
C10 C7 C8 C9 177.00(19) . . . . ?
C10 C11 C12 C13 -114.63(19) . . . . ?
C10 C22 C23 C24 179.25(14) . . . . ?
C10 C22 C27 C26 -178.96(16) . . . . ?
C11 O1 C8 C7 0.27(17) . . . . ?
C11 O1 C8 C9 -177.34(15) . . . . ?
C11 C10 C22 C23 131.34(16) . . . . ?
C11 C10 C22 C27 -50.9(2) . . . . ?
C11 C12 C13 C14 55.91(17) . . . . ?
C12 C13 C14 C15 178.17(13) . . . . ?
C13 C14 C15 O2 35.1(2) . . . . ?
C13 C14 C15 N1 -145.76(15) . . . . ?
C15 N1 C16 C17 -20.0(3) . . . . ?
C15 N1 C16 C21 161.04(19) . . . . ?
C16 N1 C15 O2 4.2(3) . . . . ?
C16 N1 C15 C14 -174.93(15) . . . . ?
C16 C17 C18 C19 -0.8(3) . . . . ?
C17 C16 C21 C20 0.6(3) . . . . ?
C17 C18 C19 C20 0.2(4) . . . . ?
C18 C19 C20 C21 0.9(4) . . . . ?
C19 C20 C21 C16 -1.2(4) . . . . ?
C21 C16 C17 C18 0.4(3) . . . . ?
C22 C10 C11 O1 -176.79(12) . . . . ?
C22 C10 C11 C12 -2.9(3) . . . . ?
C22 C23 C24 C25 -0.5(3) . . . . ?
C23 C22 C27 C26 -1.2(2) . . . . ?
C23 C24 C25 C26 -0.6(3) . . . . ?
C24 C25 C26 C27 0.9(3) . . . . ?
C25 C26 C27 C22 0.0(3) . . . . ?
C27 C22 C23 C24 1.4(2) . . . . ?

_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 1.843
_oxdiff_exptl_absorpt_empirical_full_min 0.504
