An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1
Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu; Journal of the American Chemical Society 124 (2002) 10136–10145; doi:10.1021/ja012363k

data_4115057
_publ_section_title
;
 An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and
 Structural Properties of Multibridged [3n]Cyclophanes and Their
 Charge-Transfer Complexes in the Solid State1
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10136
_journal_page_last               10145
_journal_paper_doi               10.1021/ja012363k
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C24 H28 '
_chemical_formula_sum            'C24 H28'
_chemical_formula_weight         316.49
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.58(2)
_cell_length_b                   23.234(6)
_cell_length_c                   8.733(2)
_cell_measurement_temperature    123.2
_cell_volume                     3364(4)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9088
_diffrn_measured_fraction_theta_max 0.9088
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3657
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            unknown
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_exptl_crystal_description       unknown
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_exptl_crystal_size_min          0.000
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.22
_refine_ls_extinction_coef       0.010(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_reflns         3071
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.0023
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00181|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0743
_reflns_number_gt                3071
_reflns_number_total             3536
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja012363k_07.cif
_cod_data_source_block           34CP-4
_cod_original_cell_volume        3363.8201
_cod_original_formula_sum        'C24 H28 '
_cod_database_code               4115057