Synthesis and characterization of poly(1,3-phenylene)-based polyradicals carrying cyclic aminoxyls
Oka, Hiroyuki; Tamura, Tomoki; Miura, Yozo; Teki, Yoshio; Journal of Materials Chemistry 11 (2001) 1364–; doi:10.1039/b100060h

data_7204965
_publ_section_title
;
 Synthesis and characterization of poly(1,3-phenylene)-based polyradicals
 carrying cyclic aminoxyls
;
_journal_issue                   5
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1364
_journal_paper_doi               10.1039/b100060h
_journal_volume                  11
_journal_year                    2001
_chemical_formula_moiety         'C24 H24 N O2 '
_chemical_formula_sum            'C24 H24 N O2'
_chemical_formula_weight         358.46
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.80(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.724(4)
_cell_length_b                   12.034(4)
_cell_length_c                   17.318(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     3874.7(19)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI91
_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  0.007
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4608
_diffrn_standards_decay_%        0.36
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.039
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.698
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          1.000
_exptl_crystal_size_mid          0.750
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.17
_refine_ls_extinction_coef       0.00082(4)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.641
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     245
_refine_ls_number_reflns         2721
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0368
_reflns_number_gt                2721
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b100060h.txt
_cod_data_source_block           RASSAT
_cod_depositor_comments
;

2018-03-14
Z value changed to be consistent with given formula
                 miguel
;
_cod_original_formula_units_Z            4
_cod_original_cell_volume        3874(1)
_cod_original_formula_sum        'C24 H24 N O2 '
_cod_database_code               7204965