# Supplementary Information (SI) for Chemical Communications.
# 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_s
_database_code_depnum_ccdc_archive 'CCDC 2356079'
loop_
_audit_author_name
_audit_author_address
'Xiaoming He'
;Shaanxi Normal University
China
;
_audit_update_record             
;
2024-05-17 deposited with the CCDC.	2024-07-11 downloaded from the CCDC.
;
_audit_creation_date             2023-11-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H23 N'
_chemical_formula_sum            'C19 H23 N'
_chemical_formula_weight         265.38
_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'

_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           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   11.2368(3)
_cell_length_b                   7.0029(2)
_cell_length_c                   19.2578(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1515.40(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9907
_cell_measurement_temperature    200.00
_cell_measurement_theta_max      68.096
_cell_measurement_theta_min      4.556
_shelx_estimated_absorpt_T_max   0.942
_shelx_estimated_absorpt_T_min   0.864
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1337 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.8683.
The λ/2 correction factor is Not present.
;
_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    1.163
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_unetI/netI     0.0189
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19743
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.090
_diffrn_reflns_theta_min         4.556
_diffrn_ambient_temperature      200.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1378
_reflns_number_total             1496
_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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.180
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         1496
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0484
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0641P)²+0.4021P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1298
_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. Uiso/Uaniso restraints and constraints
C002 \\sim N001 \\sim C00A \\sim C008 \\sim C006 \\sim C007 \\sim C005 \\sim
C00C \\sim C004 \\sim C00D \\sim C003 \\sim C009 \\sim C00B \\sim C00E \\sim
C00G \\sim C00F \\sim C00H: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02 within 2A
3. Others
 Fixed Sof: H00A(0.5) H00B(0.5) H00F(0.5) H00E(0.5) H00G(0.5) H00H(0.5)
 H00J(0.5) H00I(0.5)
4.a Ternary CH refined with riding coordinates:
 C00E(H00K), C00G(H00N)
4.b Secondary CH2 refined with riding coordinates:
 C009(H00A,H00B), C00B(H00C,H00D), C00F(H00M,H00L), C00H(H00O,H00P)
4.c Aromatic/amide H refined with riding coordinates:
 C004(H004), C005(H005)
4.d Idealised Me refined as rotating group:
 C00C(H00F,H00E,H00G), C00D(H00H,H00J,H00I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N001 N 0.54711(14) 0.750000 0.60801(9) 0.0502(4) Uani 1 2 d S TU P . .
C002 C 0.27836(14) 0.750000 0.45767(9) 0.0351(4) Uani 1 2 d S TU P . .
C003 C 0.17692(14) 0.750000 0.40511(8) 0.0359(4) Uani 1 2 d S TU P . .
C004 C 0.25165(15) 0.750000 0.52857(9) 0.0379(4) Uani 1 2 d S TU P . .
H004 H 0.170480 0.750000 0.542369 0.045 Uiso 1 2 calc R U P . .
C005 C 0.39799(15) 0.750000 0.43872(9) 0.0391(4) Uani 1 2 d S TU P . .
H005 H 0.418088 0.750000 0.390803 0.047 Uiso 1 2 calc R U P . .
C006 C 0.48907(15) 0.750000 0.48774(10) 0.0413(4) Uani 1 2 d S TU P . .
C007 C 0.33867(16) 0.750000 0.57954(10) 0.0416(4) Uani 1 2 d S TU P . .
C008 C 0.45701(15) 0.750000 0.55752(10) 0.0424(5) Uani 1 2 d S TU P . .
C009 C 0.22005(17) 0.750000 0.32969(9) 0.0506(5) Uani 1 2 d S TU P . .
H00A H 0.269650 0.635537 0.321174 0.061 Uiso 0.5 1 calc R U P . .
H00B H 0.269650 0.864463 0.321174 0.061 Uiso 0.5 1 calc R U P . .
C00A C 0.6208(2) 0.750000 0.65029(13) 0.0658(6) Uani 1 2 d S TU P . .
C00B C 0.10024(13) 0.5714(2) 0.41611(7) 0.0566(4) Uani 1 1 d . U . . .
H00C H 0.071364 0.567622 0.464656 0.068 Uiso 1 1 calc R U . . .
H00D H 0.148748 0.455614 0.407781 0.068 Uiso 1 1 calc R U . . .
C00C C 0.61772(16) 0.750000 0.46614(12) 0.0529(5) Uani 1 2 d S TU P . .
H00F H 0.623420 0.722386 0.416361 0.079 Uiso 0.5 1 calc R U P A -1
H00E H 0.660900 0.652076 0.492346 0.079 Uiso 0.5 1 calc R U P A -1
H00G H 0.652655 0.875539 0.475632 0.079 Uiso 0.5 1 calc R U P A -1
C00D C 0.3063(2) 0.750000 0.65543(10) 0.0597(6) Uani 1 2 d S TU P . .
H00H H 0.313544 0.620195 0.673969 0.090 Uiso 0.5 1 calc R U P B -1
H00J H 0.224128 0.794439 0.660975 0.090 Uiso 0.5 1 calc R U P B -1
H00I H 0.360091 0.835367 0.680734 0.090 Uiso 0.5 1 calc R U P B -1
C00E C 0.11327(19) 0.750000 0.27970(10) 0.0606(6) Uani 1 2 d S TU P . .
H00K H 0.142980 0.749998 0.230751 0.073 Uiso 1 2 calc R U P . .
C00F C 0.03872(15) 0.5725(3) 0.29183(8) 0.0722(5) Uani 1 1 d . U . . .
H00M H 0.087390 0.456857 0.283546 0.087 Uiso 1 1 calc R U . . .
H00L H -0.029412 0.570580 0.259246 0.087 Uiso 1 1 calc R U . . .
C00G C -0.00627(15) 0.5736(3) 0.36618(8) 0.0735(6) Uani 1 1 d . U . . .
H00N H -0.056140 0.457500 0.374331 0.088 Uiso 1 1 calc R U . . .
C00H C -0.08062(19) 0.750000 0.37864(12) 0.0908(10) Uani 1 2 d S TU P . .
H00O H -0.149969 0.750003 0.346933 0.109 Uiso 1 2 calc R U P . .
H00P H -0.110575 0.749997 0.426984 0.109 Uiso 1 2 calc R U P . .


_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
N001 C008 1.404(2) . ?
N001 C00A 1.162(3) . ?
C002 C003 1.524(2) . ?
C002 C004 1.398(2) . ?
C002 C005 1.393(2) . ?
C003 C009 1.531(2) . ?
C003 C00B 1.5336(16) . ?
C003 C00B 1.5336(16) 7_575 ?
C004 H004 0.9500 . ?
C004 C007 1.386(2) . ?
C005 H005 0.9500 . ?
C005 C006 1.392(2) . ?
C006 C008 1.391(3) . ?
C006 C00C 1.504(2) . ?
C007 C008 1.396(3) . ?
C007 C00D 1.506(3) . ?
C009 H00A 0.9900 . ?
C009 H00B 0.9900 . ?
C009 C00E 1.538(3) . ?
C00B H00C 0.9900 . ?
C00B H00D 0.9900 . ?
C00B C00G 1.535(2) . ?
C00C H00F 0.9800 . ?
C00C H00E 0.9800 . ?
C00C H00G 0.9800 . ?
C00D H00H 0.9800 . ?
C00D H00J 0.9800 . ?
C00D H00I 0.9800 . ?
C00E H00K 1.0000 . ?
C00E C00F 1.517(2) 7_575 ?
C00E C00F 1.517(2) . ?
C00F H00M 0.9900 . ?
C00F H00L 0.9900 . ?
C00F C00G 1.518(2) . ?
C00G H00N 1.0000 . ?
C00G C00H 1.510(2) . ?
C00H H00O 0.9900 . ?
C00H H00P 0.9900 . ?

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
C00A N001 C008 179.3(2) . . ?
C004 C002 C003 119.20(14) . . ?
C005 C002 C003 123.21(15) . . ?
C005 C002 C004 117.59(16) . . ?
C002 C003 C009 113.15(14) . . ?
C002 C003 C00B 109.18(9) . . ?
C002 C003 C00B 109.18(9) . 7_575 ?
C009 C003 C00B 107.99(10) . . ?
C009 C003 C00B 107.98(10) . 7_575 ?
C00B C003 C00B 109.30(16) . 7_575 ?
C002 C004 H004 118.6 . . ?
C007 C004 C002 122.71(16) . . ?
C007 C004 H004 118.6 . . ?
C002 C005 H005 118.9 . . ?
C006 C005 C002 122.12(16) . . ?
C006 C005 H005 118.9 . . ?
C005 C006 C00C 121.25(18) . . ?
C008 C006 C005 117.68(16) . . ?
C008 C006 C00C 121.07(17) . . ?
C004 C007 C008 117.20(17) . . ?
C004 C007 C00D 121.12(17) . . ?
C008 C007 C00D 121.67(17) . . ?
C006 C008 N001 118.83(16) . . ?
C006 C008 C007 122.70(16) . . ?
C007 C008 N001 118.47(17) . . ?
C003 C009 H00A 109.6 . . ?
C003 C009 H00B 109.6 . . ?
C003 C009 C00E 110.29(15) . . ?
H00A C009 H00B 108.1 . . ?
C00E C009 H00A 109.6 . . ?
C00E C009 H00B 109.6 . . ?
C003 C00B H00C 109.6 . . ?
C003 C00B H00D 109.6 . . ?
C003 C00B C00G 110.07(12) . . ?
H00C C00B H00D 108.2 . . ?
C00G C00B H00C 109.6 . . ?
C00G C00B H00D 109.6 . . ?
C006 C00C H00F 109.5 . . ?
C006 C00C H00E 109.5 . . ?
C006 C00C H00G 109.5 . . ?
H00F C00C H00E 109.5 . . ?
H00F C00C H00G 109.5 . . ?
H00E C00C H00G 109.5 . . ?
C007 C00D H00H 109.5 . . ?
C007 C00D H00J 109.5 . . ?
C007 C00D H00I 109.5 . . ?
H00H C00D H00J 109.5 . . ?
H00H C00D H00I 109.5 . . ?
H00J C00D H00I 109.5 . . ?
C009 C00E H00K 109.2 . . ?
C00F C00E C009 109.53(11) . . ?
C00F C00E C009 109.53(11) 7_575 . ?
C00F C00E H00K 109.2 7_575 . ?
C00F C00E H00K 109.2 . . ?
C00F C00E C00F 110.05(19) 7_575 . ?
C00E C00F H00M 109.9 . . ?
C00E C00F H00L 109.9 . . ?
C00E C00F C00G 108.95(14) . . ?
H00M C00F H00L 108.3 . . ?
C00G C00F H00M 109.9 . . ?
C00G C00F H00L 109.9 . . ?
C00B C00G H00N 109.3 . . ?
C00F C00G C00B 109.32(13) . . ?
C00F C00G H00N 109.3 . . ?
C00H C00G C00B 109.88(15) . . ?
C00H C00G C00F 109.78(16) . . ?
C00H C00G H00N 109.3 . . ?
C00G C00H C00G 109.73(18) 7_575 . ?
C00G C00H H00O 109.7 7_575 . ?
C00G C00H H00O 109.7 . . ?
C00G C00H H00P 109.7 . . ?
C00G C00H H00P 109.7 7_575 . ?
H00O C00H H00P 108.2 . . ?

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
C002 C003 C009 C00E 180.000(0) . . . . ?
C002 C003 C00B C00G 177.09(13) . . . . ?
C002 C004 C007 C008 0.000(1) . . . . ?
C002 C004 C007 C00D 180.000(0) . . . . ?
C002 C005 C006 C008 0.000(0) . . . . ?
C002 C005 C006 C00C 180.000(0) . . . . ?
C003 C002 C004 C007 180.000(0) . . . . ?
C003 C002 C005 C006 180.000(0) . . . . ?
C003 C009 C00E C00F -60.39(12) . . . . ?
C003 C009 C00E C00F 60.39(12) . . . 7_575 ?
C003 C00B C00G C00F 61.24(19) . . . . ?
C003 C00B C00G C00H -59.29(17) . . . . ?
C004 C002 C003 C009 180.000(0) . . . . ?
C004 C002 C003 C00B 59.72(10) . . . 7_575 ?
C004 C002 C003 C00B -59.72(10) . . . . ?
C004 C002 C005 C006 0.000(0) . . . . ?
C004 C007 C008 N001 180.000(0) . . . . ?
C004 C007 C008 C006 0.000(0) . . . . ?
C005 C002 C003 C009 0.000(0) . . . . ?
C005 C002 C003 C00B 120.28(10) . . . . ?
C005 C002 C003 C00B -120.28(10) . . . 7_575 ?
C005 C002 C004 C007 0.000(0) . . . . ?
C005 C006 C008 N001 180.000(0) . . . . ?
C005 C006 C008 C007 0.000(0) . . . . ?
C009 C003 C00B C00G -59.51(17) . . . . ?
C009 C00E C00F C00G 60.50(18) . . . . ?
C00B C003 C009 C00E 59.04(10) . . . . ?
C00B C003 C009 C00E -59.04(10) 7_575 . . . ?
C00B C003 C00B C00G 57.73(19) 7_575 . . . ?
C00B C00G C00H C00G 60.3(2) . . . 7_575 ?
C00C C006 C008 N001 0.000(0) . . . . ?
C00C C006 C008 C007 180.000(0) . . . . ?
C00D C007 C008 N001 0.000(0) . . . . ?
C00D C007 C008 C006 180.000(0) . . . . ?
C00E C00F C00G C00B -60.98(19) . . . . ?
C00E C00F C00G C00H 59.62(18) . . . . ?
C00F C00E C00F C00G -60.0(2) 7_575 . . . ?
C00F C00G C00H C00G -59.9(2) . . . 7_575 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_s_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2356080'
loop_
_audit_author_name
_audit_author_address
'Xiaoming He'
;Shaanxi Normal University
China
;
_audit_update_record             
;
2024-05-17 deposited with the CCDC.	2024-07-11 downloaded from the CCDC.
;
_audit_creation_date             2023-11-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H30 N2'
_chemical_formula_sum            'C28 H30 N2'
_chemical_formula_weight         394.54
_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'

_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                   6.7908(4)
_cell_length_b                   19.6373(13)
_cell_length_c                   16.4833(11)
_cell_angle_alpha                90
_cell_angle_beta                 90.029(3)
_cell_angle_gamma                90
_cell_volume                     2198.1(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9847
_cell_measurement_temperature    153.00
_cell_measurement_theta_max      68.340
_cell_measurement_theta_min      3.500
_shelx_estimated_absorpt_T_max   0.949
_shelx_estimated_absorpt_T_min   0.779
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1075 before and 0.0689 after correction.
The Ratio of minimum to maximum transmission is 0.7984.
The λ/2 correction factor is Not present.
;
_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    1.192
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31114
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.339
_diffrn_reflns_theta_min         3.501
_diffrn_ambient_temperature      153.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           50.0
_diffrn_source_power             2.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3388
_reflns_number_total             4009
_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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.238
_refine_diff_density_min         -0.212
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         4009
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.054
_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)+(0.0591P)²+0.6082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1195
_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 Ternary CH refined with riding coordinates:
 C17(H17), C5(H5)
2.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C14(H14A,H14B), C22(H22A,H22B), C7(H7A,H7B), C21(H21A,H21B),
 C23(H23A,H23B)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C16(H16), C20(H20), C24(H24)
2.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C11(H11A,H11B,H11C), C3(H3A,H3B,H3C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.21395(16) 0.60630(6) 0.53711(7) 0.0340(3) Uani 1 1 d . . . . .
N2 N 0.59345(18) 0.02901(6) 0.34517(7) 0.0385(3) Uani 1 1 d . . . . .
C1 C 0.25221(18) 0.48791(7) 0.50224(8) 0.0295(3) Uani 1 1 d . . . . .
C4 C 0.25641(17) 0.40271(7) 0.61033(8) 0.0284(3) Uani 1 1 d . . . . .
C6 C 0.31558(18) 0.27929(7) 0.56944(8) 0.0280(3) Uani 1 1 d . . . . .
H6A H 0.440446 0.292796 0.542970 0.034 Uiso 1 1 calc R U . . .
H6B H 0.209309 0.282382 0.528468 0.034 Uiso 1 1 calc R U . . .
C8 C 0.26538(18) 0.42061(7) 0.52859(8) 0.0289(3) Uani 1 1 d . . . . .
H8 H 0.281080 0.385609 0.489339 0.035 Uiso 1 1 calc R U . . .
C10 C 0.33266(19) 0.20500(7) 0.59906(8) 0.0298(3) Uani 1 1 d . . . . .
C12 C 0.3492(2) 0.05638(7) 0.44603(8) 0.0326(3) Uani 1 1 d . . . . .
C14 C 0.0749(2) 0.30702(7) 0.67841(9) 0.0327(3) Uani 1 1 d . . . . .
H14A H 0.043218 0.337832 0.724122 0.039 Uiso 1 1 calc R U . . .
H14B H -0.032463 0.310433 0.637950 0.039 Uiso 1 1 calc R U . . .
C16 C 0.23124(18) 0.45526(7) 0.66688(8) 0.0305(3) Uani 1 1 d . . . . .
H16 H 0.223736 0.444032 0.722855 0.037 Uiso 1 1 calc R U . . .
C18 C 0.39072(19) 0.15873(7) 0.52853(8) 0.0301(3) Uani 1 1 d . . . . .
C20 C 0.28732(19) 0.10019(7) 0.50784(8) 0.0318(3) Uani 1 1 d . . . . .
H20 H 0.170315 0.089534 0.536744 0.038 Uiso 1 1 calc R U . . .
C22 C 0.4366(2) 0.32202(7) 0.70350(9) 0.0334(3) Uani 1 1 d . . . . .
H22A H 0.564307 0.334926 0.678976 0.040 Uiso 1 1 calc R U . . .
H22B H 0.410217 0.353409 0.749218 0.040 Uiso 1 1 calc R U . . .
C24 C 0.5614(2) 0.17391(7) 0.48435(9) 0.0333(3) Uani 1 1 d . . . . .
H24 H 0.632514 0.214190 0.497024 0.040 Uiso 1 1 calc R U . . .
C26 C 0.22902(18) 0.53801(7) 0.56131(9) 0.0302(3) Uani 1 1 d . . . . .
C28 C 0.2628(2) 0.50576(8) 0.41381(9) 0.0350(3) Uani 1 1 d . . . . .
H28A H 0.383698 0.531527 0.403272 0.052 Uiso 1 1 calc R U . . .
H28B H 0.148328 0.533497 0.399004 0.052 Uiso 1 1 calc R U . . .
H28C H 0.263292 0.463909 0.381424 0.052 Uiso 1 1 calc R U . . .
C7 C 0.4949(2) 0.20067(7) 0.66477(9) 0.0341(3) Uani 1 1 d . . . . .
H7A H 0.504237 0.153352 0.685134 0.041 Uiso 1 1 calc R U . . .
H7B H 0.623537 0.213098 0.640734 0.041 Uiso 1 1 calc R U . . .
C15 C 0.27113(18) 0.32893(7) 0.63931(8) 0.0283(3) Uani 1 1 d . . . . .
C2 C 0.21685(19) 0.52324(7) 0.64407(9) 0.0321(3) Uani 1 1 d . . . . .
C17 C 0.4484(2) 0.24871(7) 0.73527(9) 0.0366(3) Uani 1 1 d . . . . .
H17 H 0.555108 0.245439 0.776920 0.044 Uiso 1 1 calc R U . . .
C9 C 0.5211(2) 0.07332(7) 0.40523(8) 0.0333(3) Uani 1 1 d . . . . .
C19 C 0.6298(2) 0.13208(7) 0.42272(9) 0.0342(3) Uani 1 1 d . . . . .
C5 C 0.0895(2) 0.23351(7) 0.70941(9) 0.0358(3) Uani 1 1 d . . . . .
H5 H -0.038988 0.220121 0.734338 0.043 Uiso 1 1 calc R U . . .
C21 C 0.1356(2) 0.18513(7) 0.63867(9) 0.0335(3) Uani 1 1 d . . . . .
H21A H 0.028836 0.187546 0.597877 0.040 Uiso 1 1 calc R U . . .
H21B H 0.143202 0.137730 0.658901 0.040 Uiso 1 1 calc R U . . .
C11 C 0.2346(2) -0.00719(8) 0.42603(10) 0.0407(4) Uani 1 1 d . . . . .
H11A H 0.155436 -0.020623 0.473067 0.061 Uiso 1 1 calc R U . . .
H11B H 0.326267 -0.043971 0.412282 0.061 Uiso 1 1 calc R U . . .
H11C H 0.147730 0.001693 0.379742 0.061 Uiso 1 1 calc R U . . .
C23 C 0.2519(2) 0.22839(8) 0.77353(9) 0.0405(4) Uani 1 1 d . . . . .
H23A H 0.221528 0.258993 0.819591 0.049 Uiso 1 1 calc R U . . .
H23B H 0.259772 0.181184 0.794348 0.049 Uiso 1 1 calc R U . . .
C3 C 0.1857(2) 0.57886(8) 0.70490(10) 0.0438(4) Uani 1 1 d . . . . .
H3A H 0.057001 0.600077 0.695764 0.066 Uiso 1 1 calc R U . . .
H3B H 0.289463 0.613195 0.698968 0.066 Uiso 1 1 calc R U . . .
H3C H 0.190392 0.559700 0.759762 0.066 Uiso 1 1 calc R U . . .
C25 C 0.8150(2) 0.14898(8) 0.37741(10) 0.0437(4) Uani 1 1 d . . . . .
H25A H 0.867273 0.192517 0.396916 0.066 Uiso 1 1 calc R U . . .
H25B H 0.785927 0.152405 0.319314 0.066 Uiso 1 1 calc R U . . .
H25C H 0.912727 0.113041 0.386408 0.066 Uiso 1 1 calc R U . . .
C13 C 0.1978(2) 0.66301(8) 0.51882(11) 0.0470(4) Uani 1 1 d . . . . .
C27 C 0.6605(3) -0.00751(9) 0.29745(11) 0.0525(4) Uani 1 1 d . . . . .


_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
N1 C26 1.4029(17) . ?
N1 C13 1.159(2) . ?
N2 C9 1.4066(18) . ?
N2 C27 1.158(2) . ?
C1 C8 1.3939(19) . ?
C1 C26 1.3932(19) . ?
C1 C28 1.5009(19) . ?
C4 C8 1.3937(19) . ?
C4 C16 1.4012(19) . ?
C4 C15 1.5289(18) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C10 1.5427(18) . ?
C6 C15 1.5387(18) . ?
C8 H8 0.9500 . ?
C10 C18 1.5275(19) . ?
C10 C7 1.5469(18) . ?
C10 C21 1.5393(18) . ?
C12 C20 1.398(2) . ?
C12 C9 1.388(2) . ?
C12 C11 1.507(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.5420(18) . ?
C14 C5 1.5346(19) . ?
C16 H16 0.9500 . ?
C16 C2 1.390(2) . ?
C18 C20 1.3895(19) . ?
C18 C24 1.4010(19) . ?
C20 H20 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C15 1.5490(17) . ?
C22 C17 1.534(2) . ?
C24 H24 0.9500 . ?
C24 C19 1.387(2) . ?
C26 C2 1.397(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C17 1.530(2) . ?
C2 C3 1.498(2) . ?
C17 H17 1.0000 . ?
C17 C23 1.530(2) . ?
C9 C19 1.400(2) . ?
C19 C25 1.500(2) . ?
C5 H5 1.0000 . ?
C5 C21 1.536(2) . ?
C5 C23 1.530(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 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
C13 N1 C26 178.12(16) . . ?
C27 N2 C9 177.11(16) . . ?
C8 C1 C28 121.40(13) . . ?
C26 C1 C8 117.32(13) . . ?
C26 C1 C28 121.28(12) . . ?
C8 C4 C16 117.57(12) . . ?
C8 C4 C15 122.56(12) . . ?
C16 C4 C15 119.87(12) . . ?
H6A C6 H6B 107.9 . . ?
C10 C6 H6A 109.2 . . ?
C10 C6 H6B 109.2 . . ?
C15 C6 H6A 109.2 . . ?
C15 C6 H6B 109.2 . . ?
C15 C6 C10 112.14(11) . . ?
C1 C8 H8 118.7 . . ?
C4 C8 C1 122.51(13) . . ?
C4 C8 H8 118.7 . . ?
C6 C10 C7 109.08(11) . . ?
C18 C10 C6 109.94(11) . . ?
C18 C10 C7 108.43(10) . . ?
C18 C10 C21 113.38(11) . . ?
C21 C10 C6 107.99(10) . . ?
C21 C10 C7 107.93(11) . . ?
C20 C12 C11 120.91(13) . . ?
C9 C12 C20 117.31(13) . . ?
C9 C12 C11 121.78(13) . . ?
H14A C14 H14B 108.1 . . ?
C15 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C5 C14 H14A 109.6 . . ?
C5 C14 H14B 109.6 . . ?
C5 C14 C15 110.22(11) . . ?
C4 C16 H16 118.8 . . ?
C2 C16 C4 122.40(13) . . ?
C2 C16 H16 118.8 . . ?
C20 C18 C10 123.26(12) . . ?
C20 C18 C24 117.81(13) . . ?
C24 C18 C10 118.87(12) . . ?
C12 C20 H20 118.8 . . ?
C18 C20 C12 122.40(13) . . ?
C18 C20 H20 118.8 . . ?
H22A C22 H22B 108.1 . . ?
C15 C22 H22A 109.5 . . ?
C15 C22 H22B 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 C15 110.68(11) . . ?
C18 C24 H24 118.9 . . ?
C19 C24 C18 122.16(13) . . ?
C19 C24 H24 118.9 . . ?
C1 C26 N1 118.99(13) . . ?
C1 C26 C2 122.86(12) . . ?
C2 C26 N1 118.14(12) . . ?
C1 C28 H28A 109.5 . . ?
C1 C28 H28B 109.5 . . ?
C1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C10 C7 H7A 109.5 . . ?
C10 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
C17 C7 C10 110.54(11) . . ?
C17 C7 H7A 109.5 . . ?
C17 C7 H7B 109.5 . . ?
C4 C15 C6 112.29(11) . . ?
C4 C15 C14 109.79(10) . . ?
C4 C15 C22 110.10(11) . . ?
C6 C15 C14 107.82(10) . . ?
C6 C15 C22 108.26(10) . . ?
C14 C15 C22 108.47(11) . . ?
C16 C2 C26 117.33(13) . . ?
C16 C2 C3 121.94(13) . . ?
C26 C2 C3 120.72(13) . . ?
C22 C17 H17 109.4 . . ?
C7 C17 C22 109.28(12) . . ?
C7 C17 H17 109.4 . . ?
C23 C17 C22 109.88(12) . . ?
C23 C17 C7 109.44(12) . . ?
C23 C17 H17 109.4 . . ?
C12 C9 N2 119.13(13) . . ?
C12 C9 C19 122.77(13) . . ?
C19 C9 N2 118.08(13) . . ?
C24 C19 C9 117.54(13) . . ?
C24 C19 C25 121.00(13) . . ?
C9 C19 C25 121.45(13) . . ?
C14 C5 H5 109.1 . . ?
C14 C5 C21 110.01(12) . . ?
C21 C5 H5 109.1 . . ?
C23 C5 C14 109.77(12) . . ?
C23 C5 H5 109.1 . . ?
C23 C5 C21 109.67(12) . . ?
C10 C21 H21A 109.7 . . ?
C10 C21 H21B 109.7 . . ?
C5 C21 C10 110.04(11) . . ?
C5 C21 H21A 109.7 . . ?
C5 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C23 C5 109.06(12) . . ?
C17 C23 H23A 109.9 . . ?
C17 C23 H23B 109.9 . . ?
C5 C23 H23A 109.9 . . ?
C5 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 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 C26 C2 C16 179.73(11) . . . . ?
N1 C26 C2 C3 0.84(19) . . . . ?
N2 C9 C19 C24 -177.40(12) . . . . ?
N2 C9 C19 C25 1.8(2) . . . . ?
C1 C26 C2 C16 0.77(19) . . . . ?
C1 C26 C2 C3 -178.12(12) . . . . ?
C4 C16 C2 C26 -0.18(19) . . . . ?
C4 C16 C2 C3 178.70(12) . . . . ?
C6 C10 C18 C20 -127.61(13) . . . . ?
C6 C10 C18 C24 55.32(15) . . . . ?
C6 C10 C7 C17 57.69(14) . . . . ?
C6 C10 C21 C5 -58.59(14) . . . . ?
C8 C1 C26 N1 -179.60(11) . . . . ?
C8 C1 C26 C2 -0.65(18) . . . . ?
C8 C4 C16 C2 -0.49(18) . . . . ?
C8 C4 C15 C6 5.31(16) . . . . ?
C8 C4 C15 C14 -114.63(13) . . . . ?
C8 C4 C15 C22 126.01(13) . . . . ?
C10 C6 C15 C4 179.35(10) . . . . ?
C10 C6 C15 C14 -59.57(13) . . . . ?
C10 C6 C15 C22 57.59(13) . . . . ?
C10 C18 C20 C12 -176.25(12) . . . . ?
C10 C18 C24 C19 176.08(12) . . . . ?
C10 C7 C17 C22 -59.88(15) . . . . ?
C10 C7 C17 C23 60.48(15) . . . . ?
C12 C9 C19 C24 0.9(2) . . . . ?
C12 C9 C19 C25 -179.91(13) . . . . ?
C14 C5 C21 C10 60.05(15) . . . . ?
C14 C5 C23 C17 -60.60(15) . . . . ?
C16 C4 C8 C1 0.62(18) . . . . ?
C16 C4 C15 C6 -175.24(11) . . . . ?
C16 C4 C15 C14 64.83(15) . . . . ?
C16 C4 C15 C22 -54.53(15) . . . . ?
C18 C10 C7 C17 177.41(11) . . . . ?
C18 C10 C21 C5 179.34(11) . . . . ?
C18 C24 C19 C9 0.3(2) . . . . ?
C18 C24 C19 C25 -178.90(13) . . . . ?
C20 C12 C9 N2 177.11(12) . . . . ?
C20 C12 C9 C19 -1.1(2) . . . . ?
C20 C18 C24 C19 -1.2(2) . . . . ?
C22 C17 C23 C5 59.89(15) . . . . ?
C24 C18 C20 C12 0.9(2) . . . . ?
C26 C1 C8 C4 -0.08(18) . . . . ?
C28 C1 C8 C4 179.85(11) . . . . ?
C28 C1 C26 N1 0.47(18) . . . . ?
C28 C1 C26 C2 179.42(12) . . . . ?
C7 C10 C18 C20 113.21(14) . . . . ?
C7 C10 C18 C24 -63.86(15) . . . . ?
C7 C10 C21 C5 59.21(14) . . . . ?
C7 C17 C23 C5 -60.11(15) . . . . ?
C15 C4 C8 C1 -179.91(11) . . . . ?
C15 C4 C16 C2 -179.97(11) . . . . ?
C15 C6 C10 C18 -176.11(10) . . . . ?
C15 C6 C10 C7 -57.33(14) . . . . ?
C15 C6 C10 C21 59.73(13) . . . . ?
C15 C14 C5 C21 -60.09(15) . . . . ?
C15 C14 C5 C23 60.68(15) . . . . ?
C15 C22 C17 C7 60.74(15) . . . . ?
C15 C22 C17 C23 -59.36(15) . . . . ?
C17 C22 C15 C4 178.08(11) . . . . ?
C17 C22 C15 C6 -58.83(14) . . . . ?
C17 C22 C15 C14 57.92(15) . . . . ?
C9 C12 C20 C18 0.3(2) . . . . ?
C5 C14 C15 C4 -178.76(11) . . . . ?
C5 C14 C15 C6 58.61(14) . . . . ?
C5 C14 C15 C22 -58.41(14) . . . . ?
C21 C10 C18 C20 -6.63(18) . . . . ?
C21 C10 C18 C24 176.30(12) . . . . ?
C21 C10 C7 C17 -59.39(14) . . . . ?
C21 C5 C23 C17 60.38(15) . . . . ?
C11 C12 C20 C18 179.17(13) . . . . ?
C11 C12 C9 N2 -1.8(2) . . . . ?
C11 C12 C9 C19 179.95(13) . . . . ?
C23 C5 C21 C10 -60.79(15) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
