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_7111331
_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_moiety         'C44 H38 O4 '
_chemical_formula_sum            'C44 H38 O4'
_chemical_formula_weight         630.78
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Tue Jun  3 13:29:25 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                   10.1566(7)
_cell_length_b                   18.671(1)
_cell_length_c                   35.302(2)
_cell_measurement_reflns_used    16997
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6694.5(7)
_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 14.62
_diffrn_measured_fraction_theta_full 0.9652
_diffrn_measured_fraction_theta_max 0.9652
_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  0.037
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            352
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.996
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.263
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4939
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.0044
_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         0.0514
_reflns_number_gt                4939
_reflns_number_total             7406
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b405837bsup1.cif
_cod_data_source_block           COMPOUND_2
_cod_original_cell_volume        6694.5(8)
_cod_original_sg_symbol_H-M      'P 21/b 21/c 21/a'
_cod_original_formula_sum        'C44 H38 O4 '
_cod_database_code               7111331