# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_cu_sf150318_0m
_database_code_depnum_ccdc_archive 'CCDC 1060894'
_audit_update_record             
;
2015-04-21 deposited with the CCDC.
2015-06-17 downloaded from the CCDC.
;
_audit_creation_date             2015-03-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C28 H28 N2'
_chemical_formula_sum            'C28 H28 N2'
_chemical_formula_weight         392.52
_chemical_absolute_configuration rmad
_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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.20980(10)
_cell_length_b                   8.35700(10)
_cell_length_c                   14.8849(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.3780(10)
_cell_angle_gamma                90
_cell_volume                     1104.62(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5514
_cell_measurement_temperature    130
_cell_measurement_theta_max      69.206
_cell_measurement_theta_min      3.079
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.926
_exptl_absorpt_coefficient_mu    0.522
_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.5183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1437 before and 0.0538 after correction.
The Ratio of minimum to maximum transmission is 0.6881.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0416
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8154
_diffrn_reflns_point_group_measured_fraction_full 0.834
_diffrn_reflns_point_group_measured_fraction_max 0.817
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.612
_diffrn_reflns_theta_min         3.079
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.551
_reflns_Friedel_fraction_full    0.647
_reflns_Friedel_fraction_max     0.627
_reflns_number_gt                3327
_reflns_number_total             3399
_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 v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.203
_refine_diff_density_rms         0.042
_refine_ls_abs_structure_details 
;
 Flack x determined using 1163 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.1(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3399
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0440
_refine_ls_restrained_S_all      1.049
_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)+(0.0781P)²+0.1966P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1186
_refine_ls_wR_factor_ref         0.1193
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 N2(H2), C5(H5), C6(H6), C7(H7), C8(H8), C15(H15), C16(H16), C17(H17),
 C18(H18), C22(H22), C24(H24), C26(H26)
2.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C20(H20A,H20B,H20C), C27(H27A,H27B,
 H27C), C28(H28A,H28B,H28C)
;
_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 0.1173(2) -0.2155(3) 0.77294(14) 0.0307(5) Uani 1 1 d . . . . .
N2 N 0.1774(2) 0.3210(3) 0.66705(14) 0.0280(5) Uani 1 1 d . . . . .
H2 H 0.1597 0.3672 0.7162 0.034 Uiso 1 1 calc R . . . .
C1 C 0.0719(3) 0.0525(3) 0.69592(16) 0.0259(5) Uani 1 1 d . . . . .
H1 H -0.0085 -0.0063 0.6493 0.031 Uiso 1 1 calc R . . . .
C2 C 0.1773(3) -0.0740(3) 0.74953(16) 0.0258(5) Uani 1 1 d . . . . .
C3 C 0.3307(3) -0.0728(3) 0.78763(17) 0.0272(5) Uani 1 1 d . . . . .
C4 C 0.3679(3) -0.2208(3) 0.83594(17) 0.0316(6) Uani 1 1 d . . . . .
C5 C 0.5033(4) -0.2904(5) 0.8875(2) 0.0480(8) Uani 1 1 d . . . . .
H5 H 0.5966 -0.2363 0.8951 0.058 Uiso 1 1 calc R . . . .
C6 C 0.4977(5) -0.4401(5) 0.9270(2) 0.0659(13) Uani 1 1 d . . . . .
H6 H 0.5886 -0.4877 0.9624 0.079 Uiso 1 1 calc R . . . .
C7 C 0.3616(5) -0.5230(5) 0.9161(2) 0.0598(10) Uani 1 1 d . . . . .
H7 H 0.3618 -0.6252 0.9441 0.072 Uiso 1 1 calc R . . . .
C8 C 0.2296(4) -0.4586(4) 0.8660(2) 0.0470(8) Uani 1 1 d . . . . .
H8 H 0.1372 -0.5146 0.8580 0.056 Uiso 1 1 calc R . . . .
C9 C 0.2334(3) -0.3068(3) 0.82631(17) 0.0301(6) Uani 1 1 d . . . . .
C10 C -0.0397(3) -0.2668(4) 0.7416(2) 0.0388(6) Uani 1 1 d . . . . .
H10A H -0.0623 -0.3010 0.6764 0.058 Uiso 1 1 calc GR . . . .
H10B H -0.1057 -0.1775 0.7473 0.058 Uiso 1 1 calc GR . . . .
H10C H -0.0565 -0.3563 0.7802 0.058 Uiso 1 1 calc GR . . . .
C11 C 0.4426(3) 0.0538(4) 0.7840(2) 0.0461(7) Uani 1 1 d . . . . .
H11A H 0.4597 0.0559 0.7217 0.069 Uiso 1 1 calc GR . . . .
H11B H 0.5377 0.0309 0.8304 0.069 Uiso 1 1 calc GR . . . .
H11C H 0.4042 0.1580 0.7973 0.069 Uiso 1 1 calc GR . . . .
C12 C 0.1439(3) 0.1645(3) 0.64052(16) 0.0260(5) Uani 1 1 d . . . . .
C13 C 0.1860(3) 0.1329(3) 0.56047(17) 0.0269(5) Uani 1 1 d . . . . .
C14 C 0.2515(2) 0.2777(3) 0.53766(16) 0.0261(5) Uani 1 1 d . . . . .
C15 C 0.3186(3) 0.3207(4) 0.46631(17) 0.0314(6) Uani 1 1 d . . . . .
H15 H 0.3273 0.2446 0.4206 0.038 Uiso 1 1 calc R . . . .
C16 C 0.3712(3) 0.4740(4) 0.46362(19) 0.0361(7) Uani 1 1 d . . . . .
H16 H 0.4179 0.5029 0.4162 0.043 Uiso 1 1 calc R . . . .
C17 C 0.3571(3) 0.5881(4) 0.5296(2) 0.0352(6) Uani 1 1 d . . . . .
H17 H 0.3922 0.6939 0.5252 0.042 Uiso 1 1 calc R . . . .
C18 C 0.2932(3) 0.5501(3) 0.60115(19) 0.0317(6) Uani 1 1 d . . . . .
H18 H 0.2840 0.6275 0.6461 0.038 Uiso 1 1 calc R . . . .
C19 C 0.2430(3) 0.3940(3) 0.60448(16) 0.0266(5) Uani 1 1 d . . . . .
C20 C 0.1682(3) -0.0214(4) 0.5083(2) 0.0369(6) Uani 1 1 d . . . . .
H20A H 0.1341 -0.1045 0.5445 0.055 Uiso 1 1 calc GR . . . .
H20B H 0.2651 -0.0529 0.4981 0.055 Uiso 1 1 calc GR . . . .
H20C H 0.0938 -0.0083 0.4481 0.055 Uiso 1 1 calc GR . . . .
C21 C -0.0083(2) 0.1447(3) 0.75720(16) 0.0250(5) Uani 1 1 d . . . . .
C22 C 0.0457(3) 0.1494(3) 0.85401(17) 0.0278(5) Uani 1 1 d . . . . .
H22 H 0.1349 0.0929 0.8838 0.033 Uiso 1 1 calc R . . . .
C23 C -0.0307(3) 0.2369(3) 0.90777(17) 0.0298(5) Uani 1 1 d . . . . .
C24 C -0.1611(3) 0.3165(3) 0.86311(18) 0.0301(5) Uani 1 1 d . . . . .
H24 H -0.2144 0.3738 0.8994 0.036 Uiso 1 1 calc R . . . .
C25 C -0.2173(3) 0.3157(3) 0.76622(18) 0.0298(5) Uani 1 1 d . . . . .
C26 C -0.1387(3) 0.2289(3) 0.71444(17) 0.0281(5) Uani 1 1 d . . . . .
H26 H -0.1750 0.2271 0.6485 0.034 Uiso 1 1 calc R . . . .
C27 C -0.3578(3) 0.4065(4) 0.7191(2) 0.0393(7) Uani 1 1 d . . . . .
H27A H -0.3314 0.5169 0.7079 0.059 Uiso 1 1 calc GR . . . .
H27B H -0.4267 0.4067 0.7592 0.059 Uiso 1 1 calc GR . . . .
H27C H -0.4068 0.3552 0.6596 0.059 Uiso 1 1 calc GR . . . .
C28 C 0.0302(3) 0.2443(4) 1.01228(19) 0.0426(7) Uani 1 1 d . . . . .
H28A H 0.1111 0.3239 1.0286 0.064 Uiso 1 1 calc GR . . . .
H28B H 0.0699 0.1391 1.0358 0.064 Uiso 1 1 calc GR . . . .
H28C H -0.0508 0.2745 1.0404 0.064 Uiso 1 1 calc GR . . . .


_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 C2 1.388(3) . ?
N1 C9 1.381(3) . ?
N1 C10 1.461(3) . ?
N2 H2 0.8800 . ?
N2 C12 1.378(3) . ?
N2 C19 1.379(3) . ?
C1 H1 1.0000 . ?
C1 C2 1.512(3) . ?
C1 C12 1.512(3) . ?
C1 C21 1.526(3) . ?
C2 C3 1.376(3) . ?
C3 C4 1.426(4) . ?
C3 C11 1.488(4) . ?
C4 C5 1.405(4) . ?
C4 C9 1.406(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.404(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.358(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.403(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.373(3) . ?
C13 C14 1.433(4) . ?
C13 C20 1.492(4) . ?
C14 C15 1.409(3) . ?
C14 C19 1.407(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.374(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.400(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.383(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.390(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.395(3) . ?
C21 C26 1.392(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.403(3) . ?
C23 C24 1.380(4) . ?
C23 C28 1.508(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.397(4) . ?
C25 C26 1.393(4) . ?
C25 C27 1.503(4) . ?
C26 H26 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
C2 N1 C10 126.6(2) . . ?
C9 N1 C2 108.4(2) . . ?
C9 N1 C10 124.8(2) . . ?
C12 N2 H2 125.3 . . ?
C12 N2 C19 109.3(2) . . ?
C19 N2 H2 125.3 . . ?
C2 C1 H1 106.1 . . ?
C2 C1 C21 112.49(19) . . ?
C12 C1 H1 106.1 . . ?
C12 C1 C2 114.04(19) . . ?
C12 C1 C21 111.5(2) . . ?
C21 C1 H1 106.1 . . ?
N1 C2 C1 119.0(2) . . ?
C3 C2 N1 109.7(2) . . ?
C3 C2 C1 131.1(2) . . ?
C2 C3 C4 106.5(2) . . ?
C2 C3 C11 129.5(3) . . ?
C4 C3 C11 124.0(2) . . ?
C5 C4 C3 133.9(3) . . ?
C5 C4 C9 118.4(3) . . ?
C9 C4 C3 107.8(2) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 C4 118.4(4) . . ?
C6 C5 H5 120.8 . . ?
C5 C6 H6 119.1 . . ?
C5 C6 C7 121.9(3) . . ?
C7 C6 H6 119.1 . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.6(3) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 121.0 . . ?
C7 C8 C9 118.1(3) . . ?
C9 C8 H8 121.0 . . ?
N1 C9 C4 107.6(2) . . ?
N1 C9 C8 129.8(3) . . ?
C8 C9 C4 122.6(3) . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C3 C11 H11A 109.5 . . ?
C3 C11 H11B 109.5 . . ?
C3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C1 121.9(2) . . ?
C13 C12 N2 109.8(2) . . ?
C13 C12 C1 128.3(2) . . ?
C12 C13 C14 106.1(2) . . ?
C12 C13 C20 126.9(2) . . ?
C14 C13 C20 127.0(2) . . ?
C15 C14 C13 133.6(3) . . ?
C19 C14 C13 108.1(2) . . ?
C19 C14 C15 118.3(3) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 C14 119.2(3) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 121.0(2) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 119.3 . . ?
C18 C17 C16 121.5(3) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 H18 121.4 . . ?
C17 C18 C19 117.2(3) . . ?
C19 C18 H18 121.4 . . ?
N2 C19 C14 106.8(2) . . ?
N2 C19 C18 130.4(2) . . ?
C18 C19 C14 122.8(2) . . ?
C13 C20 H20A 109.5 . . ?
C13 C20 H20B 109.5 . . ?
C13 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C1 122.4(2) . . ?
C26 C21 C1 118.5(2) . . ?
C26 C21 C22 119.1(2) . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.6(2) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 C28 120.3(2) . . ?
C24 C23 C22 118.7(2) . . ?
C24 C23 C28 121.0(2) . . ?
C23 C24 H24 118.9 . . ?
C23 C24 C25 122.1(2) . . ?
C25 C24 H24 118.9 . . ?
C24 C25 C27 121.1(2) . . ?
C26 C25 C24 118.0(2) . . ?
C26 C25 C27 120.9(2) . . ?
C21 C26 C25 121.5(2) . . ?
C21 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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 C2 C3 C4 0.7(3) . . . . ?
N1 C2 C3 C11 -178.2(3) . . . . ?
N2 C12 C13 C14 1.0(3) . . . . ?
N2 C12 C13 C20 -179.4(2) . . . . ?
C1 C2 C3 C4 175.9(2) . . . . ?
C1 C2 C3 C11 -3.0(5) . . . . ?
C1 C12 C13 C14 -178.8(2) . . . . ?
C1 C12 C13 C20 0.8(4) . . . . ?
C1 C21 C22 C23 179.4(2) . . . . ?
C1 C21 C26 C25 -179.9(2) . . . . ?
C2 N1 C9 C4 -0.2(3) . . . . ?
C2 N1 C9 C8 -179.7(2) . . . . ?
C2 C1 C12 N2 -107.6(3) . . . . ?
C2 C1 C12 C13 72.2(3) . . . . ?
C2 C1 C21 C22 20.0(3) . . . . ?
C2 C1 C21 C26 -161.0(2) . . . . ?
C2 C3 C4 C5 179.4(3) . . . . ?
C2 C3 C4 C9 -0.8(3) . . . . ?
C3 C4 C5 C6 179.2(3) . . . . ?
C3 C4 C9 N1 0.6(3) . . . . ?
C3 C4 C9 C8 -179.8(2) . . . . ?
C4 C5 C6 C7 0.5(4) . . . . ?
C5 C4 C9 N1 -179.6(2) . . . . ?
C5 C4 C9 C8 0.0(4) . . . . ?
C5 C6 C7 C8 0.0(5) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
C7 C8 C9 N1 180.0(3) . . . . ?
C7 C8 C9 C4 0.5(4) . . . . ?
C9 N1 C2 C1 -176.2(2) . . . . ?
C9 N1 C2 C3 -0.3(3) . . . . ?
C9 C4 C5 C6 -0.5(4) . . . . ?
C10 N1 C2 C1 8.0(4) . . . . ?
C10 N1 C2 C3 -176.2(2) . . . . ?
C10 N1 C9 C4 175.7(2) . . . . ?
C10 N1 C9 C8 -3.8(4) . . . . ?
C11 C3 C4 C5 -1.6(4) . . . . ?
C11 C3 C4 C9 178.2(3) . . . . ?
C12 N2 C19 C14 -0.6(3) . . . . ?
C12 N2 C19 C18 178.8(2) . . . . ?
C12 C1 C2 N1 -155.7(2) . . . . ?
C12 C1 C2 C3 29.5(4) . . . . ?
C12 C1 C21 C22 -109.5(3) . . . . ?
C12 C1 C21 C26 69.5(3) . . . . ?
C12 C13 C14 C15 178.0(2) . . . . ?
C12 C13 C14 C19 -1.4(3) . . . . ?
C13 C14 C15 C16 179.7(2) . . . . ?
C13 C14 C19 N2 1.2(3) . . . . ?
C13 C14 C19 C18 -178.2(2) . . . . ?
C14 C15 C16 C17 -1.0(4) . . . . ?
C15 C14 C19 N2 -178.3(2) . . . . ?
C15 C14 C19 C18 2.2(3) . . . . ?
C15 C16 C17 C18 1.6(4) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
C17 C18 C19 N2 179.0(2) . . . . ?
C17 C18 C19 C14 -1.6(4) . . . . ?
C19 N2 C12 C1 179.5(2) . . . . ?
C19 N2 C12 C13 -0.3(3) . . . . ?
C19 C14 C15 C16 -0.8(3) . . . . ?
C20 C13 C14 C15 -1.5(4) . . . . ?
C20 C13 C14 C19 179.0(2) . . . . ?
C21 C1 C2 N1 76.1(3) . . . . ?
C21 C1 C2 C3 -98.7(3) . . . . ?
C21 C1 C12 N2 21.1(3) . . . . ?
C21 C1 C12 C13 -159.1(2) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C21 C22 C23 C28 -178.7(3) . . . . ?
C22 C21 C26 C25 -0.9(4) . . . . ?
C22 C23 C24 C25 -1.5(4) . . . . ?
C23 C24 C25 C26 1.0(4) . . . . ?
C23 C24 C25 C27 -178.6(3) . . . . ?
C24 C25 C26 C21 0.2(4) . . . . ?
C26 C21 C22 C23 0.4(4) . . . . ?
C27 C25 C26 C21 179.8(2) . . . . ?
C28 C23 C24 C25 178.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
