data_2008176
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  230
_journal_page_last  232
_publ_section_title
;
1,4-Bis[4-(1-pyridinium)styryl]benzene ditosylate
;
loop_
_publ_author_name
  'Clark, George R.'
  'Denny, William A.'
  'Squire, Christopher J.'
_chemical_name_common  'SN 18071.Ts'
_chemical_formula_sum  'C46 H40 N2 O6 S2'
_chemical_formula_iupac  'C32 H26 N2 2+, 2C7 H7 O3 S1 1-'
_chemical_formula_weight  780.92
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.2454(3)
_cell_length_b  9.1927(4)
_cell_length_c  15.6539(7)
_cell_angle_alpha  92.4180(10)
_cell_angle_beta  99.6870(10)
_cell_angle_gamma  112.6660(10)
_cell_volume  941.79(7)
_cell_formula_units_Z  1
_cell_measurement_temperature  203(2)
_exptl_crystal_density_diffrn  1.377
_diffrn_ambient_temperature  203(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  N1 0.2756(2) 0.27993(17) 0.37948(9) 0.0303(3) Uani d . 1 . . N
  C2 0.3025(3) 0.1861(2) 0.44104(12) 0.0345(4) Uani d . 1 . . C
  H2 0.185(3) 0.094(3) 0.4440(13) 0.041 Uiso d . 1 . . H
  C3 0.4900(3) 0.2288(2) 0.49474(13) 0.0383(4) Uani d . 1 . . C
  H3 0.505(3) 0.162(3) 0.5372(15) 0.046 Uiso d . 1 . . H
  C4 0.6519(3) 0.3643(2) 0.48406(13) 0.0395(4) Uani d . 1 . . C
  H4 0.782(3) 0.394(3) 0.5197(15) 0.047 Uiso d . 1 . . H
  C5 0.6224(3) 0.4568(2) 0.42008(12) 0.0385(4) Uani d . 1 . . C
  H5 0.728(3) 0.552(3) 0.4136(14) 0.046 Uiso d . 1 . . H
  C6 0.4324(3) 0.4139(2) 0.36875(12) 0.0353(4) Uani d . 1 . . C
  H6 0.396(3) 0.477(2) 0.3266(14) 0.042 Uiso d . 1 . . H
  C7 0.0750(3) 0.2371(2) 0.32508(11) 0.0313(4) Uani d . 1 . . C
  C8 0.0564(3) 0.2388(2) 0.23575(12) 0.0372(4) Uani d . 1 . . C
  H8 0.171(3) 0.266(3) 0.2114(14) 0.045 Uiso d . 1 . . H
  C9 -0.1370(3) 0.1962(2) 0.18469(13) 0.0396(4) Uani d . 1 . . C
  H9 -0.136(3) 0.197(3) 0.1259(15) 0.048 Uiso d . 1 . . H
  C10 -0.3099(3) 0.1504(2) 0.22228(12) 0.0354(4) Uani d . 1 . . C
  C11 -0.2841(3) 0.1510(2) 0.31212(13) 0.0374(4) Uani d . 1 . . C
  H11 -0.411(3) 0.118(2) 0.3371(14) 0.045 Uiso d . 1 . . H
  C12 -0.0927(3) 0.1946(2) 0.36438(13) 0.0359(4) Uani d . 1 . . C
  H12 -0.076(3) 0.197(2) 0.4301(15) 0.043 Uiso d . 1 . . H
  C13 -0.5207(3) 0.0981(2) 0.17219(13) 0.0382(4) Uani d . 1 . . C
  H13 -0.633(3) 0.055(2) 0.2045(14) 0.046 Uiso d . 1 . . H
  C14 -0.5797(3) 0.1014(2) 0.08801(13) 0.0393(4) Uani d . 1 . . C
  H14 -0.467(3) 0.148(3) 0.0522(14) 0.047 Uiso d . 1 . . H
  C15 -0.7957(3) 0.0460(2) 0.04398(12) 0.0340(4) Uani d . 1 . . C
  C16 -0.9572(3) -0.0563(2) 0.07792(13) 0.0400(4) Uani d . 1 . . C
  H16 -0.928(3) -0.095(3) 0.1294(15) 0.048 Uiso d . 1 . . H
  C17 -0.8431(3) 0.1007(2) -0.03491(13) 0.0406(4) Uani d . 1 . . C
  H17 -0.734(3) 0.167(3) -0.0586(14) 0.049 Uiso d . 1 . . H
  S1 0.05611(7) 0.76015(5) 0.33208(3) 0.03615(14) Uani d . 1 . . S
  O1 0.1179(2) 0.62824(18) 0.32771(10) 0.0537(4) Uani d . 1 . . O
  O2 0.1908(2) 0.90104(17) 0.30123(9) 0.0480(4) Uani d . 1 . . O
  O3 0.0193(2) 0.79638(17) 0.41765(8) 0.0471(4) Uani d . 1 . . O
  C18 -0.1853(3) 0.6962(2) 0.25935(11) 0.0313(4) Uani d . 1 . . C
  C19 -0.3148(3) 0.7711(2) 0.26878(13) 0.0403(4) Uani d . 1 . . C
  H19 -0.276(3) 0.853(3) 0.3145(15) 0.048 Uiso d . 1 . . H
  C20 -0.5013(3) 0.7243(2) 0.21222(14) 0.0433(5) Uani d . 1 . . C
  H20 -0.585(4) 0.779(3) 0.2201(15) 0.052 Uiso d . 1 . . H
  C21 -0.5622(3) 0.6026(2) 0.14474(13) 0.0392(4) Uani d . 1 . . C
  C22 -0.4328(3) 0.5269(2) 0.13670(13) 0.0429(5) Uani d . 1 . . C
  H22 -0.475(3) 0.443(3) 0.0929(15) 0.051 Uiso d . 1 . . H
  C23 -0.2452(3) 0.5725(2) 0.19359(13) 0.0380(4) Uani d . 1 . . C
  H23 -0.161(3) 0.519(3) 0.1883(14) 0.046 Uiso d . 1 . . H
  C24 -0.7647(3) 0.5547(3) 0.08199(16) 0.0592(6) Uani d . 1 . . C
  H24A -0.7922 0.4580 0.0453 0.089 Uiso calc R 1 . . H
  H24B -0.7590 0.6387 0.0457 0.089 Uiso calc R 1 . . H
  H24C -0.8725 0.5367 0.1147 0.089 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  N1 0.0262(7) 0.0310(7) 0.0293(7) 0.0085(6) 0.0010(6) 0.0036(6)
  C2 0.0332(9) 0.0318(9) 0.0340(10) 0.0094(8) 0.0032(7) 0.0066(7)
  C3 0.0379(10) 0.0394(10) 0.0359(10) 0.0163(8) -0.0002(8) 0.0079(8)
  C4 0.0268(9) 0.0490(11) 0.0378(10) 0.0132(8) -0.0005(8) 0.0016(8)
  C5 0.0289(9) 0.0409(10) 0.0374(10) 0.0050(8) 0.0057(8) 0.0064(8)
  C6 0.0331(9) 0.0344(9) 0.0327(9) 0.0074(8) 0.0050(7) 0.0079(7)
  C7 0.0272(8) 0.0285(8) 0.0327(9) 0.0088(7) -0.0026(7) 0.0022(7)
  C8 0.0328(9) 0.0421(10) 0.0333(10) 0.0131(8) 0.0026(8) 0.0049(8)
  C9 0.0427(10) 0.0405(10) 0.0305(10) 0.0153(9) -0.0029(8) 0.0037(8)
  C10 0.0301(9) 0.0286(9) 0.0440(11) 0.0110(7) 0.0005(8) 0.0029(7)
  C11 0.0298(9) 0.0391(10) 0.0391(10) 0.0109(8) 0.0033(8) 0.0024(8)
  C12 0.0324(9) 0.0354(9) 0.0352(10) 0.0104(8) 0.0027(7) 0.0025(7)
  C13 0.0345(10) 0.0395(10) 0.0379(10) 0.0129(8) 0.0037(8) 0.0056(8)
  C14 0.0344(10) 0.0393(10) 0.0392(11) 0.0115(8) 0.0021(8) 0.0049(8)
  C15 0.0300(9) 0.0323(9) 0.0343(9) 0.0099(7) -0.0010(7) 0.0023(7)
  C16 0.0411(10) 0.0441(10) 0.0278(9) 0.0119(9) -0.0011(8) 0.0117(8)
  C17 0.0330(9) 0.0430(10) 0.0385(10) 0.0059(8) 0.0086(8) 0.0122(8)
  S1 0.0310(2) 0.0380(3) 0.0315(2) 0.00600(19) 0.00288(17) 0.00901(18)
  O1 0.0490(8) 0.0525(9) 0.0571(10) 0.0249(7) -0.0078(7) 0.0067(7)
  O2 0.0361(7) 0.0503(8) 0.0439(8) 0.0012(6) 0.0087(6) 0.0158(6)
  O3 0.0418(8) 0.0517(8) 0.0305(7) 0.0013(6) 0.0046(6) 0.0044(6)
  C18 0.0320(9) 0.0301(8) 0.0291(9) 0.0089(7) 0.0066(7) 0.0086(7)
  C19 0.0458(11) 0.0357(10) 0.0392(11) 0.0169(9) 0.0064(9) 0.0026(8)
  C20 0.0421(11) 0.0465(11) 0.0494(12) 0.0243(9) 0.0121(9) 0.0128(9)
  C21 0.0297(9) 0.0432(10) 0.0400(10) 0.0084(8) 0.0068(8) 0.0156(8)
  C22 0.0421(11) 0.0402(10) 0.0378(11) 0.0103(9) 0.0018(8) -0.0019(8)
  C23 0.0369(10) 0.0380(10) 0.0396(10) 0.0159(8) 0.0070(8) 0.0028(8)
  C24 0.0347(11) 0.0737(16) 0.0582(14) 0.0131(11) -0.0011(10) 0.0181(12)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  N1 C6 . 1.356(2) ?
  N1 C2 . 1.359(2) ?
  N1 C7 . 1.452(2) ?
  C2 C3 . 1.372(3) ?
  C3 C4 . 1.383(3) ?
  C4 C5 . 1.383(3) ?
  C5 C6 . 1.370(3) ?
  C7 C12 . 1.383(3) ?
  C7 C8 . 1.383(3) ?
  C8 C9 . 1.389(3) ?
  C9 C10 . 1.399(3) ?
  C10 C11 . 1.387(3) ?
  C10 C13 . 1.476(2) ?
  C11 C12 . 1.384(2) ?
  C13 C14 . 1.321(3) ?
  C14 C15 . 1.476(2) ?
  C15 C17 . 1.392(3) ?
  C15 C16 . 1.393(3) ?
  C16 C17 2_355 1.381(3) ?
  C17 C16 2_355 1.381(3) ?
  S1 O1 . 1.4481(16) ?
  S1 O2 . 1.4492(13) ?
  S1 O3 . 1.4585(14) ?
  S1 C18 . 1.7838(18) ?
  C18 C19 . 1.382(3) ?
  C18 C23 . 1.383(3) ?
  C19 C20 . 1.383(3) ?
  C20 C21 . 1.387(3) ?
  C21 C22 . 1.384(3) ?
  C21 C24 . 1.514(3) ?
  C22 C23 . 1.392(3) ?