# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_psu-1477(am-1888)
_database_code_depnum_ccdc_archive 'CCDC 2235359'
loop_
_audit_author_name
_audit_author_address
'Aleksandr Rubtsov'
;Perm State University
Russia
;
_audit_update_record             
;
2023-01-10 deposited with the CCDC.	2023-05-04 downloaded from the CCDC.
;
_audit_creation_date             2022-11-26
_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        N,N-diethyl-[1,1':3',1''-terphenyl]-5'-amine
_chemical_formula_moiety         'C22 H23 N'
_chemical_formula_sum            'C22 H23 N'
_chemical_formula_weight         301.41
_chemical_melting_point          342
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.8132(13)
_cell_length_b                   10.6937(19)
_cell_length_c                   21.060(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.873(16)
_cell_angle_gamma                90
_cell_volume                     1755.6(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2278
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.6930
_cell_measurement_theta_min      2.6110
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.962
_exptl_absorpt_coefficient_mu    0.065
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.853
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9361
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.853
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.516
_diffrn_reflns_theta_min         2.137
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4752
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -60.00   46.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       14.0072  -57.0000  120.0000 106

#__ type_ start__ end____ width___ exp.time_
  2 omega  -59.00   29.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       14.0072  -57.0000 -150.0000 88

#__ type_ start__ end____ width___ exp.time_
  3 omega   30.00   56.00   1.0000   13.0000
omega____ theta____ kappa____ phi______ frames
    -       14.0072  -99.0000  -90.0000 26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, Ruby'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0901958000
_diffrn_orient_matrix_UB_12      0.0068569000
_diffrn_orient_matrix_UB_13      0.0001551000
_diffrn_orient_matrix_UB_21      -0.0054888000
_diffrn_orient_matrix_UB_22      0.0069258000
_diffrn_orient_matrix_UB_23      -0.0335576000
_diffrn_orient_matrix_UB_31      -0.0102000000
_diffrn_orient_matrix_UB_32      -0.0656426000
_diffrn_orient_matrix_UB_33      -0.0036892000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2560
_reflns_number_total             4178
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_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         0.199
_refine_diff_density_min         -0.169
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       0.012(2)
_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   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         4178
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1030
_refine_ls_R_factor_gt           0.0594
_refine_ls_restrained_S_all      1.024
_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)+(0.0747P)²+0.2008P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1413
_refine_ls_wR_factor_ref         0.1756
_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:
 C1(H1A,H1B), C3(H3A,H3B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C10(H10), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
2.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C)
;
_atom_sites_solution_hydrogens   geom
_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
N1 N 0.7188(2) 0.33356(15) 0.26833(8) 0.0649(5) Uani 1 1 d . . . . .
C1 C 0.7981(2) 0.30402(19) 0.33126(10) 0.0631(5) Uani 1 1 d . . . . .
H1A H 0.786907 0.375926 0.358751 0.076 Uiso 1 1 calc R U . . .
H1B H 0.919565 0.289438 0.327616 0.076 Uiso 1 1 calc R U . . .
C2 C 0.7233(3) 0.1930(2) 0.36180(12) 0.0892(8) Uani 1 1 d . . . . .
H2A H 0.724160 0.122909 0.333334 0.134 Uiso 1 1 calc R U . . .
H2B H 0.607425 0.210998 0.371314 0.134 Uiso 1 1 calc R U . . .
H2C H 0.790134 0.173433 0.400458 0.134 Uiso 1 1 calc R U . . .
C3 C 0.7952(2) 0.27697(18) 0.21413(10) 0.0626(5) Uani 1 1 d . . . . .
H3A H 0.707078 0.267035 0.179807 0.075 Uiso 1 1 calc R U . . .
H3B H 0.836754 0.194255 0.226181 0.075 Uiso 1 1 calc R U . . .
C4 C 0.9404(3) 0.3508(2) 0.19009(11) 0.0802(7) Uani 1 1 d . . . . .
H4A H 0.988399 0.306003 0.156006 0.120 Uiso 1 1 calc R U . . .
H4B H 1.027052 0.363134 0.224017 0.120 Uiso 1 1 calc R U . . .
H4C H 0.898641 0.430452 0.174828 0.120 Uiso 1 1 calc R U . . .
C5 C 0.5761(2) 0.41033(15) 0.26112(9) 0.0487(4) Uani 1 1 d . . . . .
C6 C 0.5098(2) 0.44985(15) 0.20076(9) 0.0489(4) Uani 1 1 d . . . . .
H6 H 0.559801 0.420771 0.164744 0.059 Uiso 1 1 calc R U . . .
C7 C 0.3706(2) 0.53168(15) 0.19349(8) 0.0452(4) Uani 1 1 d . . . . .
C8 C 0.2944(2) 0.57343(15) 0.24754(8) 0.0455(4) Uani 1 1 d . . . . .
H8 H 0.202454 0.628696 0.243182 0.055 Uiso 1 1 calc R U . . .
C9 C 0.3539(2) 0.53365(14) 0.30787(8) 0.0438(4) Uani 1 1 d . . . . .
C10 C 0.4939(2) 0.45292(15) 0.31410(9) 0.0499(4) Uani 1 1 d . . . . .
H10 H 0.533793 0.426590 0.354505 0.060 Uiso 1 1 calc R U . . .
C11 C 0.3088(2) 0.57343(16) 0.12875(8) 0.0475(4) Uani 1 1 d . . . . .
C12 C 0.2946(3) 0.4919(2) 0.07802(10) 0.0750(6) Uani 1 1 d . . . . .
H12 H 0.322516 0.408110 0.084492 0.090 Uiso 1 1 calc R U . . .
C13 C 0.2397(4) 0.5322(3) 0.01776(11) 0.0966(8) Uani 1 1 d . . . . .
H13 H 0.228969 0.475106 -0.015603 0.116 Uiso 1 1 calc R U . . .
C14 C 0.2009(3) 0.6553(3) 0.00678(11) 0.0845(7) Uani 1 1 d . . . . .
H14 H 0.166398 0.682764 -0.034002 0.101 Uiso 1 1 calc R U . . .
C15 C 0.2133(2) 0.7366(2) 0.05602(10) 0.0651(5) Uani 1 1 d . . . . .
H15 H 0.186436 0.820360 0.048914 0.078 Uiso 1 1 calc R U . . .
C16 C 0.2653(2) 0.69729(17) 0.11660(9) 0.0518(5) Uani 1 1 d . . . . .
H16 H 0.271255 0.754699 0.149840 0.062 Uiso 1 1 calc R U . . .
C17 C 0.2693(2) 0.57326(14) 0.36569(8) 0.0460(4) Uani 1 1 d . . . . .
C18 C 0.0911(2) 0.58448(17) 0.36498(9) 0.0586(5) Uani 1 1 d . . . . .
H18 H 0.024292 0.568383 0.327640 0.070 Uiso 1 1 calc R U . . .
C19 C 0.0128(3) 0.6193(2) 0.41936(10) 0.0695(6) Uani 1 1 d . . . . .
H19 H -0.106075 0.626377 0.418059 0.083 Uiso 1 1 calc R U . . .
C20 C 0.1077(3) 0.6435(2) 0.47488(10) 0.0709(6) Uani 1 1 d . . . . .
H20 H 0.053895 0.666348 0.511215 0.085 Uiso 1 1 calc R U . . .
C21 C 0.2835(3) 0.6339(2) 0.47653(10) 0.0695(6) Uani 1 1 d . . . . .
H21 H 0.349002 0.651061 0.514042 0.083 Uiso 1 1 calc R U . . .
C22 C 0.3630(2) 0.59888(17) 0.42293(9) 0.0576(5) Uani 1 1 d . . . . .
H22 H 0.481947 0.592179 0.424922 0.069 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
N1 C1 1.459(3) . ?
N1 C3 1.455(2) . ?
N1 C5 1.385(2) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.489(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.497(3) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.405(2) . ?
C5 C10 1.401(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.396(2) . ?
C7 C8 1.393(2) . ?
C7 C11 1.484(2) . ?
C8 H8 0.9300 . ?
C8 C9 1.390(2) . ?
C9 C10 1.393(2) . ?
C9 C17 1.486(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(3) . ?
C11 C16 1.387(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.381(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.368(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.352(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.378(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.397(2) . ?
C17 C22 1.395(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.386(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.376(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.377(3) . ?
C22 H22 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
C3 N1 C1 116.79(15) . . ?
C5 N1 C1 121.16(15) . . ?
C5 N1 C3 122.04(16) . . ?
N1 C1 H1A 108.7 . . ?
N1 C1 H1B 108.7 . . ?
N1 C1 C2 114.22(19) . . ?
H1A C1 H1B 107.6 . . ?
C2 C1 H1A 108.7 . . ?
C2 C1 H1B 108.7 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 108.8 . . ?
N1 C3 H3B 108.8 . . ?
N1 C3 C4 113.97(17) . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 H3A 108.8 . . ?
C4 C3 H3B 108.8 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 C6 121.52(16) . . ?
N1 C5 C10 120.97(17) . . ?
C10 C5 C6 117.50(15) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 C5 121.65(16) . . ?
C7 C6 H6 119.2 . . ?
C6 C7 C11 119.46(15) . . ?
C8 C7 C6 118.94(16) . . ?
C8 C7 C11 121.60(15) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 C7 120.94(15) . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C10 119.19(15) . . ?
C8 C9 C17 121.50(14) . . ?
C10 C9 C17 119.30(16) . . ?
C5 C10 H10 119.1 . . ?
C9 C10 C5 121.75(17) . . ?
C9 C10 H10 119.1 . . ?
C12 C11 C7 121.75(16) . . ?
C12 C11 C16 117.08(17) . . ?
C16 C11 C7 121.16(15) . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.3(2) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.5(2) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.5 . . ?
C15 C14 C13 119.1(2) . . ?
C15 C14 H14 120.5 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 121.0(2) . . ?
C16 C15 H15 119.5 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 121.02(18) . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C9 120.92(16) . . ?
C22 C17 C9 121.86(15) . . ?
C22 C17 C18 117.21(16) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.66(19) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 120.92(19) . . ?
C20 C19 H19 119.5 . . ?
C19 C20 H20 120.3 . . ?
C19 C20 C21 119.39(19) . . ?
C21 C20 H20 120.3 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.3(2) . . ?
C22 C21 H21 119.8 . . ?
C17 C22 H22 119.2 . . ?
C21 C22 C17 121.50(18) . . ?
C21 C22 H22 119.2 . . ?

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
N1 C5 C6 C7 -177.12(16) . . . . ?
N1 C5 C10 C9 177.74(16) . . . . ?
C1 N1 C3 C4 -86.7(2) . . . . ?
C1 N1 C5 C6 173.24(16) . . . . ?
C1 N1 C5 C10 -5.9(3) . . . . ?
C3 N1 C1 C2 -91.1(2) . . . . ?
C3 N1 C5 C6 -7.8(3) . . . . ?
C3 N1 C5 C10 173.13(16) . . . . ?
C5 N1 C1 C2 87.9(2) . . . . ?
C5 N1 C3 C4 94.2(2) . . . . ?
C5 C6 C7 C8 -1.0(2) . . . . ?
C5 C6 C7 C11 178.19(15) . . . . ?
C6 C5 C10 C9 -1.4(2) . . . . ?
C6 C7 C8 C9 -0.7(2) . . . . ?
C6 C7 C11 C12 42.2(2) . . . . ?
C6 C7 C11 C16 -136.88(16) . . . . ?
C7 C8 C9 C10 1.3(2) . . . . ?
C7 C8 C9 C17 -177.43(14) . . . . ?
C7 C11 C12 C13 -178.9(2) . . . . ?
C7 C11 C16 C15 177.87(16) . . . . ?
C8 C7 C11 C12 -138.70(18) . . . . ?
C8 C7 C11 C16 42.3(2) . . . . ?
C8 C9 C10 C5 -0.2(2) . . . . ?
C8 C9 C17 C18 38.1(2) . . . . ?
C8 C9 C17 C22 -142.93(17) . . . . ?
C9 C17 C18 C19 178.87(17) . . . . ?
C9 C17 C22 C21 -179.09(17) . . . . ?
C10 C5 C6 C7 2.0(2) . . . . ?
C10 C9 C17 C18 -140.69(17) . . . . ?
C10 C9 C17 C22 38.3(2) . . . . ?
C11 C7 C8 C9 -179.88(14) . . . . ?
C11 C12 C13 C14 1.2(4) . . . . ?
C12 C11 C16 C15 -1.2(3) . . . . ?
C12 C13 C14 C15 -1.5(4) . . . . ?
C13 C14 C15 C16 0.4(4) . . . . ?
C14 C15 C16 C11 1.0(3) . . . . ?
C16 C11 C12 C13 0.1(3) . . . . ?
C17 C9 C10 C5 178.56(14) . . . . ?
C17 C18 C19 C20 0.0(3) . . . . ?
C18 C17 C22 C21 0.0(3) . . . . ?
C18 C19 C20 C21 0.4(3) . . . . ?
C19 C20 C21 C22 -0.7(3) . . . . ?
C20 C21 C22 C17 0.5(3) . . . . ?
C22 C17 C18 C19 -0.2(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: acetonitrile'
