Mono- and bis(tetrathiafulvaleno)hexadehydro[12]annulenesElectronic supplementary information (ESI) available: cyclic voltammograms of the annulenes 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b407200f/
Hara, Kenji; Hasegawa, Masashi; Kuwatani, Yoshiyuki; Enozawa, Hideo; Iyoda, Masahiko; Chemical Communications  (2004) 2042–2043; doi:10.1039/b407200f

data_7111357
_publ_section_title
;
 Mono- and bis(tetrathiafulvaleno)hexadehydro[12]annulenesElectronic
 supplementary information (ESI) available: cyclic voltammograms of the
 annulenes 1 and 2. See http://www.rsc.org/suppdata/cc/b4/b407200f/
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              2042
_journal_page_last               2043
_journal_paper_doi               10.1039/b407200f
_journal_year                    2004
_chemical_formula_moiety         'C26 H14 S6 '
_chemical_formula_sum            'C26 H14 S6'
_chemical_formula_weight         518.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.64(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.262(2)
_cell_length_b                   7.965(4)
_cell_length_c                   20.160(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.6
_cell_volume                     2282.6(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9988
_diffrn_measured_fraction_theta_max 0.9988
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            5854
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.29
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.961
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3009
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.0013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0487
_reflns_number_gt                3009
_reflns_number_total             5252
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b407200fsup1.cif
_cod_data_source_block           1TTF2Ph-Annulene
_cod_original_cell_volume        2282(1)
_cod_original_formula_sum        'C26 H14 S6 '
_cod_database_code               7111357