# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_exp_2880
_audit_block_doi                 10.5517/cc1j2rdr
_database_code_depnum_ccdc_archive 'CCDC 1402824'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2016-01-19 downloaded from the CCDC.
;
_audit_creation_date             2015-03-18
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole
_chemical_formula_moiety         '2(C25 H17 N Se0.5)'
_chemical_formula_sum            'C50 H34 N2 Se'
_chemical_formula_weight         741.75
_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 0.0033 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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.2218(7)
_cell_length_b                   9.8805(10)
_cell_length_c                   20.3205(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.561(6)
_cell_angle_gamma                90.00
_cell_volume                     1819.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2491
_cell_measurement_temperature    104.6
_cell_measurement_theta_max      29.5386
_cell_measurement_theta_min      3.0789
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0447
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9185
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.60
_diffrn_ambient_temperature      104.6
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -80.00  -55.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.4480  -77.0000  -90.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega  -62.00  -13.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.4480  118.0000   22.0000 49

#__ type_ start__ end____ width___ exp.time_
  3 omega   -3.00   35.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.9168   77.0000    0.0000 38

#__ type_ start__ end____ width___ exp.time_
  4 omega  -15.00   65.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.9168   17.0000  -18.0000 80

#__ type_ start__ end____ width___ exp.time_
  5 omega    7.00   33.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.9168   37.0000  150.0000 26

#__ type_ start__ end____ width___ exp.time_
  6 omega  -13.00   38.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       18.9168  -37.0000  -30.0000 51
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0260479000
_diffrn_orient_matrix_UB_12      0.0664865000
_diffrn_orient_matrix_UB_13      0.0020683000
_diffrn_orient_matrix_UB_21      -0.0623532000
_diffrn_orient_matrix_UB_22      0.0253481000
_diffrn_orient_matrix_UB_23      0.0088299000
_diffrn_orient_matrix_UB_31      0.0162410000
_diffrn_orient_matrix_UB_32      -0.0093948000
_diffrn_orient_matrix_UB_33      0.0383375000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2826
_reflns_number_total             3569
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         0.216
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       0.0224(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3569
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0426
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0296P)²+0.7807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0951
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se 0.64569(7) 0.16477(8) -0.11476(4) 0.03218(17) Uani 0.50 1 d P A 1
C24 C 0.6413(2) 0.21692(19) -0.02926(10) 0.0289(4) Uani 0.50 1 d P B 2
H24 H 0.6647 0.2941 0.0002 0.035 Uiso 0.50 1 calc PR B 2
N1 N 0.6413(2) 0.21692(19) -0.02926(10) 0.0289(4) Uani 0.50 1 d P A 1
C25 C 0.5589(2) 0.0011(2) -0.12129(9) 0.0278(4) Uani 0.50 1 d P B 2
H25 H 0.5274 -0.0715 -0.1542 0.033 Uiso 0.50 1 calc PR B 2
N2 N 0.5589(2) 0.0011(2) -0.12129(9) 0.0278(4) Uani 0.50 1 d P A 1
C2 C 0.5697(2) 0.1126(2) -0.01292(10) 0.0234(4) Uani 1 1 d . . .
C8 C 0.7273(2) 0.3289(2) 0.22350(11) 0.0296(5) Uani 1 1 d . . .
H8 H 0.7905 0.3157 0.2737 0.035 Uiso 1 1 calc R . .
C3 C 0.54393(19) 0.1164(2) 0.04959(10) 0.0221(4) Uani 1 1 d . . .
C7 C 0.6793(2) 0.4595(2) 0.19719(10) 0.0273(5) Uani 1 1 d . B .
C1 C 0.5258(2) -0.0037(2) -0.06224(10) 0.0232(4) Uani 1 1 d . . .
C11 C 0.8453(2) 0.6095(2) 0.30631(11) 0.0295(5) Uani 1 1 d . B .
C9 C 0.6825(2) 0.2193(2) 0.17626(10) 0.0286(5) Uani 1 1 d . B .
H9 H 0.7157 0.1333 0.1953 0.034 Uiso 1 1 calc R . .
C4 C 0.5883(2) 0.2344(2) 0.10038(10) 0.0243(4) Uani 1 1 d . . .
C6 C 0.5808(2) 0.4736(2) 0.12180(10) 0.0285(5) Uani 1 1 d . . .
H6 H 0.5432 0.5588 0.1032 0.034 Uiso 1 1 calc R B .
C18 C 0.8669(2) 0.7455(2) 0.34157(12) 0.0357(5) Uani 1 1 d . . .
C10 C 0.7225(2) 0.5832(2) 0.24282(11) 0.0322(5) Uani 1 1 d . . .
H10 H 0.6547 0.6537 0.2250 0.039 Uiso 1 1 calc R B .
C12 C 0.9683(2) 0.5107(2) 0.34103(11) 0.0309(5) Uani 1 1 d . . .
C5 C 0.5380(2) 0.3637(2) 0.07434(10) 0.0270(5) Uani 1 1 d . B .
H5 H 0.4745 0.3766 0.0242 0.032 Uiso 1 1 calc R . .
C13 C 1.0448(2) 0.4668(2) 0.30356(13) 0.0376(6) Uani 1 1 d . B .
H13 H 1.0227 0.5029 0.2573 0.045 Uiso 1 1 calc R . .
C19 C 0.7499(3) 0.8210(3) 0.33827(16) 0.0616(9) Uani 1 1 d . . .
H19 H 0.6557 0.7838 0.3171 0.074 Uiso 1 1 calc R . .
C14 C 1.1542(3) 0.3693(3) 0.33483(17) 0.0525(7) Uani 1 1 d . . .
H14 H 1.2051 0.3405 0.3095 0.063 Uiso 1 1 calc R B .
C16 C 1.1150(3) 0.3602(3) 0.44160(15) 0.0614(8) Uani 1 1 d . . .
H16 H 1.1389 0.3245 0.4881 0.074 Uiso 1 1 calc R B .
C17 C 1.0065(3) 0.4586(3) 0.41105(12) 0.0442(6) Uani 1 1 d . B .
H17 H 0.9590 0.4899 0.4376 0.053 Uiso 1 1 calc R . .
C15 C 1.1875(3) 0.3154(3) 0.40289(18) 0.0613(9) Uani 1 1 d . B .
H15 H 1.2591 0.2484 0.4230 0.074 Uiso 1 1 calc R . .
C22 C 1.0284(3) 0.9321(3) 0.40423(15) 0.0585(8) Uani 1 1 d . . .
H22 H 1.1229 0.9689 0.4266 0.070 Uiso 1 1 calc R . .
C20 C 0.7716(3) 0.9505(3) 0.3660(2) 0.0835(12) Uani 1 1 d . . .
H20 H 0.6917 1.0006 0.3626 0.100 Uiso 1 1 calc R . .
C23 C 1.0070(2) 0.8022(3) 0.37657(13) 0.0435(6) Uani 1 1 d . . .
H23 H 1.0877 0.7516 0.3814 0.052 Uiso 1 1 calc R . .
C21 C 0.9121(3) 1.0072(3) 0.39908(18) 0.0744(10) Uani 1 1 d . . .
H21 H 0.9265 1.0952 0.4175 0.089 Uiso 1 1 calc R . .
C26 C 0.6768(6) 0.2152(7) -0.0807(3) 0.0367(14) Uani 0.50 1 d P B 2
H26 H 0.7316 0.2853 -0.0862 0.044 Uiso 0.50 1 calc PR B 2
C27 C 0.6269(7) 0.0937(7) -0.1344(4) 0.0455(17) Uani 0.50 1 d P B 2
H27 H 0.6466 0.0894 -0.1747 0.055 Uiso 0.50 1 calc PR B 2


_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
C24 H24 0.9300 . ?
C24 C2 1.390(3) . ?
C24 C26 1.255(6) . ?
C25 H25 0.9300 . ?
C25 C1 1.389(3) . ?
C25 C27 1.250(7) . ?
C2 C3 1.412(3) . ?
C2 C1 1.453(3) . ?
C8 H8 0.9300 . ?
C8 C7 1.396(3) . ?
C8 C9 1.377(3) . ?
C3 C1 1.409(3) 3_655 ?
C3 C4 1.482(3) . ?
C7 C6 1.397(3) . ?
C7 C10 1.474(3) . ?
C1 C3 1.409(3) 3_655 ?
C11 C18 1.490(3) . ?
C11 C10 1.345(3) . ?
C11 C12 1.487(3) . ?
C9 H9 0.9300 . ?
C9 C4 1.398(3) . ?
C4 C5 1.387(3) . ?
C6 H6 0.9300 . ?
C6 C5 1.383(3) . ?
C18 C19 1.384(3) . ?
C18 C23 1.389(3) . ?
C10 H10 0.9300 . ?
C12 C13 1.390(3) . ?
C12 C17 1.388(3) . ?
C5 H5 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.386(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.374(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.370(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.387(4) . ?
C16 C15 1.379(4) . ?
C17 H17 0.9300 . ?
C15 H15 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.378(3) . ?
C22 C21 1.364(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.391(4) . ?
C23 H23 0.9300 . ?
C21 H21 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.543(8) . ?
C27 H27 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
C2 C24 H24 117.4 . . ?
C26 C24 H24 117.4 . . ?
C26 C24 C2 125.2(3) . . ?
C1 C25 H25 116.9 . . ?
C27 C25 H25 116.9 . . ?
C27 C25 C1 126.2(4) . . ?
C24 C2 C3 122.22(17) . . ?
C24 C2 C1 116.77(17) . . ?
C3 C2 C1 120.99(17) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C9 C8 C7 121.00(18) . . ?
C2 C3 C4 121.53(17) . . ?
C1 C3 C2 117.66(17) 3_655 . ?
C1 C3 C4 120.81(17) 3_655 . ?
C8 C7 C6 117.36(18) . . ?
C8 C7 C10 125.18(17) . . ?
C6 C7 C10 117.45(19) . . ?
C25 C1 C2 116.62(18) . . ?
C25 C1 C3 122.02(17) . 3_655 ?
C3 C1 C2 121.35(17) 3_655 . ?
C10 C11 C18 120.0(2) . . ?
C10 C11 C12 122.47(19) . . ?
C12 C11 C18 117.35(17) . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C4 121.5(2) . . ?
C4 C9 H9 119.3 . . ?
C9 C4 C3 121.11(18) . . ?
C5 C4 C3 121.25(16) . . ?
C5 C4 C9 117.64(18) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 C7 121.40(19) . . ?
C5 C6 H6 119.3 . . ?
C19 C18 C11 122.0(2) . . ?
C19 C18 C23 118.0(2) . . ?
C23 C18 C11 119.9(2) . . ?
C7 C10 H10 115.1 . . ?
C11 C10 C7 129.7(2) . . ?
C11 C10 H10 115.1 . . ?
C13 C12 C11 120.78(19) . . ?
C17 C12 C11 120.3(2) . . ?
C17 C12 C13 118.9(2) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.04(17) . . ?
C6 C5 H5 119.5 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.9 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.7(2) . . ?
C20 C19 H19 119.7 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.3(3) . . ?
C15 C14 H14 119.9 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0(3) . . ?
C12 C17 H17 119.8 . . ?
C16 C17 C12 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C14 C15 C16 120.2(3) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.5(2) . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(3) . . ?
C21 C20 H20 119.7 . . ?
C18 C23 H23 119.5 . . ?
C22 C23 C18 121.1(2) . . ?
C22 C23 H23 119.5 . . ?
C22 C21 C20 119.1(3) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C24 C26 H26 120.9 . . ?
C24 C26 C27 118.1(5) . . ?
C27 C26 H26 120.9 . . ?
C25 C27 C26 116.9(5) . . ?
C25 C27 H27 121.5 . . ?
C26 C27 H27 121.5 . . ?

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
C24 C2 C3 C1 -178.25(17) . . . 3_655 ?
C24 C2 C3 C4 1.8(3) . . . . ?
C24 C2 C1 C25 -0.4(2) . . . . ?
C24 C2 C1 C3 178.35(17) . . . 3_655 ?
C24 C26 C27 C25 -2.8(8) . . . . ?
C2 C24 C26 C27 5.2(7) . . . . ?
C2 C3 C4 C9 -123.1(2) . . . . ?
C2 C3 C4 C5 56.7(3) . . . . ?
C8 C7 C6 C5 -3.0(3) . . . . ?
C8 C7 C10 C11 26.3(4) . . . . ?
C8 C9 C4 C3 178.28(18) . . . . ?
C8 C9 C4 C5 -1.6(3) . . . . ?
C3 C2 C1 C25 -178.68(16) . . . . ?
C3 C2 C1 C3 0.1(3) . . . 3_655 ?
C3 C4 C5 C6 -179.36(18) . . . . ?
C7 C8 C9 C4 0.3(3) . . . . ?
C7 C6 C5 C4 1.8(3) . . . . ?
C1 C25 C27 C26 -1.1(7) . . . . ?
C1 C2 C3 C1 -0.1(3) . . . 3_655 ?
C1 C2 C3 C4 179.96(16) . . . . ?
C1 C3 C4 C9 56.9(3) 3_655 . . . ?
C1 C3 C4 C5 -123.2(2) 3_655 . . . ?
C11 C18 C19 C20 -174.6(3) . . . . ?
C11 C18 C23 C22 174.6(2) . . . . ?
C11 C12 C13 C14 -176.6(2) . . . . ?
C11 C12 C17 C16 176.0(2) . . . . ?
C9 C8 C7 C6 2.0(3) . . . . ?
C9 C8 C7 C10 -179.0(2) . . . . ?
C9 C4 C5 C6 0.5(3) . . . . ?
C6 C7 C10 C11 -154.7(2) . . . . ?
C18 C11 C10 C7 178.1(2) . . . . ?
C18 C11 C12 C13 -114.3(2) . . . . ?
C18 C11 C12 C17 67.0(3) . . . . ?
C18 C19 C20 C21 -1.1(6) . . . . ?
C10 C7 C6 C5 177.83(19) . . . . ?
C10 C11 C18 C19 33.9(3) . . . . ?
C10 C11 C18 C23 -143.5(2) . . . . ?
C10 C11 C12 C13 61.3(3) . . . . ?
C10 C11 C12 C17 -117.4(2) . . . . ?
C12 C11 C18 C19 -150.4(2) . . . . ?
C12 C11 C18 C23 32.2(3) . . . . ?
C12 C11 C10 C7 2.6(4) . . . . ?
C12 C13 C14 C15 0.1(3) . . . . ?
C13 C12 C17 C16 -2.7(3) . . . . ?
C13 C14 C15 C16 -1.7(4) . . . . ?
C19 C18 C23 C22 -2.9(4) . . . . ?
C19 C20 C21 C22 -0.5(6) . . . . ?
C17 C12 C13 C14 2.1(3) . . . . ?
C17 C16 C15 C14 1.0(4) . . . . ?
C15 C16 C17 C12 1.2(4) . . . . ?
C23 C18 C19 C20 2.8(4) . . . . ?
C23 C22 C21 C20 0.5(5) . . . . ?
C21 C22 C23 C18 1.3(4) . . . . ?
C26 C24 C2 C3 174.6(3) . . . . ?
C26 C24 C2 C1 -3.7(4) . . . . ?
C27 C25 C1 C2 2.6(4) . . . . ?
C27 C25 C1 C3 -176.2(4) . . . 3_655 ?

