# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_YB15
_audit_block_doi                 10.5517/ccdc.csd.cc1kg9p0
_database_code_depnum_ccdc_archive 'CCDC 1443722'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/C6TC05576A 2017

_audit_update_record             
;
2015-12-21 deposited with the CCDC.
2017-02-17 downloaded from the CCDC.
;
#Added by publCIF


_publcif_datablock.id            {32c84bb9-3e45-4000-9eaa-9d102b25857e}
# publcif _publ_body_element loop end


_audit_creation_method           SHELXL-2013
_chemical_name_systematic        ?
_chemical_name_common            9-phenanthrenyl-1,2,3,5-dithiadiazolyl
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H9 N2 S2'
_chemical_formula_sum            'C15 H9 N2 S2'
_chemical_formula_weight         281.36

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'
S S 0.1246 0.1234 '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 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   7.5618(9)
_cell_length_b                   9.5721(11)
_cell_length_c                   32.633(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.446(3)
_cell_angle_gamma                90
_cell_volume                     2359.9(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9962
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      26.52

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_F_000             1160
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.434
_shelx_estimated_absorpt_T_min   0.859
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5687
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
SADABS 2012/1 Bruker AXS, Madison WI, USA.
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker AEX-II with Photon CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16469
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         3.020
_diffrn_reflns_theta_max         26.531
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.981
_reflns_number_total             4777
_reflns_number_gt                3776
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0240P)²+6.7195P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4777
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0612
_refine_ls_wR_factor_ref         0.1393
_refine_ls_wR_factor_gt          0.1316
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.127
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
S1 S 0.28063(13) 0.45576(11) 0.25325(3) 0.0286(2) Uani 1 1 d . . . . .
S2 S 0.23319(14) 0.61539(10) 0.21040(3) 0.0304(2) Uani 1 1 d . . . . .
N1 N 0.2599(4) 0.3296(3) 0.21961(9) 0.0252(7) Uani 1 1 d . . . . .
N2 N 0.2003(4) 0.5073(3) 0.17205(9) 0.0269(7) Uani 1 1 d . . . . .
C1 C 0.2169(4) 0.3740(4) 0.18101(10) 0.0229(8) Uani 1 1 d . . . . .
C2 C 0.1790(4) 0.2638(4) 0.14932(10) 0.0196(7) Uani 1 1 d . . . . .
C3 C 0.2188(4) 0.2814(4) 0.10633(10) 0.0200(7) Uani 1 1 d . . . . .
C4 C 0.3054(4) 0.4006(4) 0.09136(11) 0.0228(8) Uani 1 1 d . . . . .
H4 H 0.3400 0.4731 0.1099 0.027 Uiso 1 1 calc R U . . .
C5 C 0.3405(5) 0.4138(4) 0.05054(11) 0.0231(8) Uani 1 1 d . . . . .
H5 H 0.3981 0.4951 0.0410 0.028 Uiso 1 1 calc R U . . .
C6 C 0.2913(4) 0.3074(4) 0.02312(11) 0.0237(8) Uani 1 1 d . . . . .
H6 H 0.3143 0.3169 -0.0051 0.028 Uiso 1 1 calc R U . . .
C7 C 0.2101(4) 0.1894(4) 0.03680(10) 0.0225(8) Uani 1 1 d . . . . .
H7 H 0.1780 0.1178 0.0177 0.027 Uiso 1 1 calc R U . . .
C8 C 0.1731(4) 0.1714(4) 0.07848(10) 0.0193(7) Uani 1 1 d . . . . .
C9 C 0.0923(4) 0.0443(4) 0.09299(10) 0.0203(7) Uani 1 1 d . . . . .
C10 C 0.0482(5) -0.0699(4) 0.06717(11) 0.0244(8) Uani 1 1 d . . . . .
H10 H 0.0681 -0.0636 0.0387 0.029 Uiso 1 1 calc R U . . .
C11 C -0.0232(5) -0.1902(4) 0.08258(12) 0.0293(9) Uani 1 1 d . . . . .
H11 H -0.0520 -0.2656 0.0646 0.035 Uiso 1 1 calc R U . . .
C12 C -0.0540(5) -0.2032(4) 0.12432(12) 0.0291(9) Uani 1 1 d . . . . .
H12 H -0.1014 -0.2872 0.1347 0.035 Uiso 1 1 calc R U . . .
C13 C -0.0150(4) -0.0933(4) 0.15002(11) 0.0243(8) Uani 1 1 d . . . . .
H13 H -0.0378 -0.1013 0.1783 0.029 Uiso 1 1 calc R U . . .
C14 C 0.0583(4) 0.0316(4) 0.13520(10) 0.0205(7) Uani 1 1 d . . . . .
C15 C 0.1012(4) 0.1447(4) 0.16207(11) 0.0214(7) Uani 1 1 d . . . . .
H15 H 0.0742 0.1365 0.1901 0.026 Uiso 1 1 calc R U . . .
S3 S 0.70047(14) 0.47298(11) 0.24795(3) 0.0314(2) Uani 1 1 d . . . . .
S4 S 0.66044(13) 0.62444(10) 0.20251(3) 0.0281(2) Uani 1 1 d . . . . .
N3 N 0.7020(4) 0.3417(3) 0.21602(9) 0.0267(7) Uani 1 1 d . . . . .
N4 N 0.6520(4) 0.5103(3) 0.16514(9) 0.0236(7) Uani 1 1 d . . . . .
C16 C 0.6757(4) 0.3793(4) 0.17637(10) 0.0216(7) Uani 1 1 d . . . . .
C17 C 0.6621(4) 0.2645(4) 0.14547(10) 0.0191(7) Uani 1 1 d . . . . .
C18 C 0.7151(4) 0.2815(4) 0.10343(10) 0.0187(7) Uani 1 1 d . . . . .
C19 C 0.8034(4) 0.4023(4) 0.08965(10) 0.0210(7) Uani 1 1 d . . . . .
H19 H 0.8340 0.4746 0.1086 0.025 Uiso 1 1 calc R U . . .
C20 C 0.8454(4) 0.4165(4) 0.04943(11) 0.0226(8) Uani 1 1 d . . . . .
H20 H 0.9041 0.4984 0.0407 0.027 Uiso 1 1 calc R U . . .
C21 C 0.8024(4) 0.3110(4) 0.02123(11) 0.0229(8) Uani 1 1 d . . . . .
H21 H 0.8293 0.3220 -0.0068 0.027 Uiso 1 1 calc R U . . .
C22 C 0.7216(4) 0.1920(4) 0.03387(10) 0.0222(8) Uani 1 1 d . . . . .
H22 H 0.6941 0.1208 0.0144 0.027 Uiso 1 1 calc R U . . .
C23 C 0.6776(4) 0.1715(4) 0.07507(10) 0.0182(7) Uani 1 1 d . . . . .
C24 C 0.5957(4) 0.0437(4) 0.08838(10) 0.0200(7) Uani 1 1 d . . . . .
C25 C 0.5556(4) -0.0698(4) 0.06193(11) 0.0225(7) Uani 1 1 d . . . . .
H25 H 0.5822 -0.0631 0.0338 0.027 Uiso 1 1 calc R U . . .
C26 C 0.4789(5) -0.1895(4) 0.07598(11) 0.0264(8) Uani 1 1 d . . . . .
H26 H 0.4533 -0.2642 0.0575 0.032 Uiso 1 1 calc R U . . .
C27 C 0.4378(5) -0.2032(4) 0.11723(11) 0.0256(8) Uani 1 1 d . . . . .
H27 H 0.3855 -0.2867 0.1268 0.031 Uiso 1 1 calc R U . . .
C28 C 0.4738(4) -0.0949(4) 0.14358(11) 0.0224(7) Uani 1 1 d . . . . .
H28 H 0.4445 -0.1033 0.1715 0.027 Uiso 1 1 calc R U . . .
C29 C 0.5535(4) 0.0291(4) 0.13006(10) 0.0200(7) Uani 1 1 d . . . . .
C30 C 0.5870(4) 0.1427(3) 0.15756(10) 0.0188(7) Uani 1 1 d . . . . .
H30 H 0.5558 0.1331 0.1853 0.023 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
S1 N1 1.635(3) . ?
S1 S2 2.0919(14) . ?
S2 N2 1.635(3) . ?
N1 C1 1.356(4) . ?
N2 C1 1.314(5) . ?
C1 C2 1.497(5) . ?
C2 C15 1.356(5) . ?
C2 C3 1.457(5) . ?
C3 C4 1.413(5) . ?
C3 C8 1.425(5) . ?
C4 C5 1.375(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.370(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.411(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.449(5) . ?
C9 C10 1.412(5) . ?
C9 C14 1.417(5) . ?
C10 C11 1.376(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.397(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.369(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.413(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.422(5) . ?
C15 H15 0.9500 . ?
S3 N3 1.633(3) . ?
S3 S4 2.0867(14) . ?
S4 N4 1.636(3) . ?
N3 C16 1.350(4) . ?
N4 C16 1.317(5) . ?
C16 C17 1.492(5) . ?
C17 C30 1.362(5) . ?
C17 C18 1.455(4) . ?
C18 C19 1.418(5) . ?
C18 C23 1.423(5) . ?
C19 C20 1.370(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.365(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.412(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.446(5) . ?
C24 C25 1.412(5) . ?
C24 C29 1.417(5) . ?
C25 C26 1.372(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.401(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.367(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.411(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.425(5) . ?
C30 H30 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 S1 S2 94.70(11) . . ?
N2 S2 S1 93.76(12) . . ?
C1 N1 S1 113.8(3) . . ?
C1 N2 S2 115.7(3) . . ?
N2 C1 N1 121.9(3) . . ?
N2 C1 C2 121.1(3) . . ?
N1 C1 C2 116.9(3) . . ?
C15 C2 C3 120.2(3) . . ?
C15 C2 C1 117.0(3) . . ?
C3 C2 C1 122.8(3) . . ?
C4 C3 C8 118.7(3) . . ?
C4 C3 C2 123.0(3) . . ?
C8 C3 C2 118.3(3) . . ?
C5 C4 C3 121.4(3) . . ?
C5 C4 H4 119.3 . . ?
C3 C4 H4 119.3 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C7 C6 C5 120.3(3) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C8 121.7(3) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C7 C8 C3 118.2(3) . . ?
C7 C8 C9 121.4(3) . . ?
C3 C8 C9 120.4(3) . . ?
C10 C9 C14 117.8(3) . . ?
C10 C9 C8 123.2(3) . . ?
C14 C9 C8 119.1(3) . . ?
C11 C10 C9 121.1(3) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C10 C11 C12 121.0(4) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C13 C12 C11 119.3(4) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C12 C13 C14 121.2(3) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C9 119.7(3) . . ?
C13 C14 C15 121.1(3) . . ?
C9 C14 C15 119.2(3) . . ?
C2 C15 C14 122.8(3) . . ?
C2 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
N3 S3 S4 94.93(12) . . ?
N4 S4 S3 93.77(12) . . ?
C16 N3 S3 113.7(3) . . ?
C16 N4 S4 115.3(3) . . ?
N4 C16 N3 122.2(3) . . ?
N4 C16 C17 120.6(3) . . ?
N3 C16 C17 117.0(3) . . ?
C30 C17 C18 120.3(3) . . ?
C30 C17 C16 116.9(3) . . ?
C18 C17 C16 122.7(3) . . ?
C19 C18 C23 118.8(3) . . ?
C19 C18 C17 122.9(3) . . ?
C23 C18 C17 118.4(3) . . ?
C20 C19 C18 121.1(3) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 120.2(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 120.0(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 122.0(3) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C22 C23 C18 117.9(3) . . ?
C22 C23 C24 121.6(3) . . ?
C18 C23 C24 120.5(3) . . ?
C25 C24 C29 117.4(3) . . ?
C25 C24 C23 123.4(3) . . ?
C29 C24 C23 119.2(3) . . ?
C26 C25 C24 121.4(3) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C25 C26 C27 120.9(3) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 119.2(3) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 121.2(3) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C24 120.0(3) . . ?
C28 C29 C30 120.8(3) . . ?
C24 C29 C30 119.2(3) . . ?
C17 C30 C29 122.4(3) . . ?
C17 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?

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
S2 S1 N1 C1 -2.3(3) . . . . ?
S1 S2 N2 C1 -1.0(3) . . . . ?
S2 N2 C1 N1 -0.5(5) . . . . ?
S2 N2 C1 C2 176.0(2) . . . . ?
S1 N1 C1 N2 2.2(5) . . . . ?
S1 N1 C1 C2 -174.4(2) . . . . ?
N2 C1 C2 C15 -143.3(4) . . . . ?
N1 C1 C2 C15 33.4(4) . . . . ?
N2 C1 C2 C3 35.5(5) . . . . ?
N1 C1 C2 C3 -147.8(3) . . . . ?
C15 C2 C3 C4 -177.7(3) . . . . ?
C1 C2 C3 C4 3.6(5) . . . . ?
C15 C2 C3 C8 0.3(5) . . . . ?
C1 C2 C3 C8 -178.4(3) . . . . ?
C8 C3 C4 C5 2.1(5) . . . . ?
C2 C3 C4 C5 -179.9(3) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C4 C5 C6 C7 -0.7(5) . . . . ?
C5 C6 C7 C8 0.3(5) . . . . ?
C6 C7 C8 C3 1.4(5) . . . . ?
C6 C7 C8 C9 -178.0(3) . . . . ?
C4 C3 C8 C7 -2.6(5) . . . . ?
C2 C3 C8 C7 179.4(3) . . . . ?
C4 C3 C8 C9 176.8(3) . . . . ?
C2 C3 C8 C9 -1.2(5) . . . . ?
C7 C8 C9 C10 1.1(5) . . . . ?
C3 C8 C9 C10 -178.3(3) . . . . ?
C7 C8 C9 C14 179.9(3) . . . . ?
C3 C8 C9 C14 0.5(5) . . . . ?
C14 C9 C10 C11 -0.9(5) . . . . ?
C8 C9 C10 C11 177.9(3) . . . . ?
C9 C10 C11 C12 -0.1(6) . . . . ?
C10 C11 C12 C13 1.1(6) . . . . ?
C11 C12 C13 C14 -1.1(5) . . . . ?
C12 C13 C14 C9 0.1(5) . . . . ?
C12 C13 C14 C15 -179.0(3) . . . . ?
C10 C9 C14 C13 0.9(5) . . . . ?
C8 C9 C14 C13 -178.0(3) . . . . ?
C10 C9 C14 C15 -180.0(3) . . . . ?
C8 C9 C14 C15 1.2(5) . . . . ?
C3 C2 C15 C14 1.4(5) . . . . ?
C1 C2 C15 C14 -179.8(3) . . . . ?
C13 C14 C15 C2 177.0(3) . . . . ?
C9 C14 C15 C2 -2.1(5) . . . . ?
S4 S3 N3 C16 -1.1(3) . . . . ?
S3 S4 N4 C16 -1.5(3) . . . . ?
S4 N4 C16 N3 1.2(5) . . . . ?
S4 N4 C16 C17 176.9(2) . . . . ?
S3 N3 C16 N4 0.2(5) . . . . ?
S3 N3 C16 C17 -175.7(2) . . . . ?
N4 C16 C17 C30 -142.8(3) . . . . ?
N3 C16 C17 C30 33.1(4) . . . . ?
N4 C16 C17 C18 33.4(5) . . . . ?
N3 C16 C17 C18 -150.6(3) . . . . ?
C30 C17 C18 C19 -176.1(3) . . . . ?
C16 C17 C18 C19 7.8(5) . . . . ?
C30 C17 C18 C23 3.4(5) . . . . ?
C16 C17 C18 C23 -172.7(3) . . . . ?
C23 C18 C19 C20 2.8(5) . . . . ?
C17 C18 C19 C20 -177.6(3) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C19 C20 C21 C22 -1.4(5) . . . . ?
C20 C21 C22 C23 0.6(5) . . . . ?
C21 C22 C23 C18 1.9(5) . . . . ?
C21 C22 C23 C24 -178.5(3) . . . . ?
C19 C18 C23 C22 -3.6(5) . . . . ?
C17 C18 C23 C22 176.9(3) . . . . ?
C19 C18 C23 C24 176.9(3) . . . . ?
C17 C18 C23 C24 -2.7(5) . . . . ?
C22 C23 C24 C25 0.7(5) . . . . ?
C18 C23 C24 C25 -179.7(3) . . . . ?
C22 C23 C24 C29 -179.6(3) . . . . ?
C18 C23 C24 C29 -0.1(5) . . . . ?
C29 C24 C25 C26 0.0(5) . . . . ?
C23 C24 C25 C26 179.6(3) . . . . ?
C24 C25 C26 C27 0.0(5) . . . . ?
C25 C26 C27 C28 0.5(5) . . . . ?
C26 C27 C28 C29 -0.9(5) . . . . ?
C27 C28 C29 C24 0.8(5) . . . . ?
C27 C28 C29 C30 178.6(3) . . . . ?
C25 C24 C29 C28 -0.3(5) . . . . ?
C23 C24 C29 C28 -180.0(3) . . . . ?
C25 C24 C29 C30 -178.2(3) . . . . ?
C23 C24 C29 C30 2.2(5) . . . . ?
C18 C17 C30 C29 -1.4(5) . . . . ?
C16 C17 C30 C29 175.0(3) . . . . ?
C28 C29 C30 C17 -179.3(3) . . . . ?
C24 C29 C30 C17 -1.5(5) . . . . ?

_refine_diff_density_max         0.695
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.080

_shelxl_version_number           2013-3



_exptl_crystal_recrystallization_method Sublimation
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_exptl_crystal_preparation       Fluorescent
