First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray structure, electrochromic response of 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic supplementary information (ESI) available: ORTEP drawings of 12+ and 2. See http://www.rsc.org/suppdata/cc/b4/b405837b/
Iwashita, Shinichi; Ohta, Eisuke; Higuchi, Hiroki; Kawai, Hidetoshi; Fujiwara, Kenshu; Ono, Kazunori; Takenaka, Masami; Suzuki, Takanori; Chemical Communications  (2004) 2076–2077; doi:10.1039/b405837b

data_7111330
_publ_section_title
;
 First stable 7,7,8,8-tetraaryl-o-quinodimethane: isolation, X-ray
 structure, electrochromic response of
 9,10-bis(dianisylmethylene)-9,10-dihydrophenanthreneElectronic
 supplementary information (ESI) available: ORTEP drawings of 12+ and 2.
 See http://www.rsc.org/suppdata/cc/b4/b405837b/
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              2076
_journal_page_last               2077
_journal_paper_doi               10.1039/b405837b
_journal_year                    2004
_chemical_formula_sum            'C46 H38 Cl6 O4'
_chemical_formula_weight         867.52
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_audit_creation_date             'Fri Dec 19 18:26:50 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.728(4)
_cell_length_b                   27.728(4)
_cell_length_c                   11.005(2)
_cell_measurement_reflns_used    14524
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      29.6
_cell_measurement_theta_min      2.0
_cell_volume                     8461(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_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_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9221
_diffrn_measured_fraction_theta_max 0.9221
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            31382
_diffrn_reflns_theta_full        29.58
_diffrn_reflns_theta_max         29.58
_exptl_absorpt_coefficient_mu    0.449
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.61
_refine_ls_abs_structure_Flack   0.07(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.597
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     509
_refine_ls_number_reflns         3232
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          0.0087
_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         0.0683
_reflns_number_gt                3232
_reflns_number_total             5751
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b405837bsup1.cif
_cod_data_source_block           Compound_1
_cod_original_cell_volume        8461.0(1)
_cod_original_sg_symbol_H-M      'I -4         '
_cod_original_formula_sum        'C46 H38 Cl6 O4 '
_cod_database_code               7111330