Synthesis, Characterization, and Charge/Discharge Properties of Polynorbornenes Carrying 2,2,6,6-Tetramethylpiperidine-1-oxy Radicals at High Density
Katsumata, Toru; Qu, Jinqing; Shiotsuki, Masashi; Satoh, Masaharu; Wada, Jun; Igarashi, Jun; Mizoguchi, Kenji; Masuda, Toshio; Macromolecules 41 (2008) 1175–; doi:10.1021/ma7020425

data_1504417
_publ_section_title
;
 Synthesis, Characterization, and Charge/Discharge Properties of
 Polynorbornenes Carrying 2,2,6,6-Tetramethylpiperidine-1-oxy Radicals at
 High Density
;
_journal_issue                   4
_journal_name_full               Macromolecules
_journal_page_first              1175
_journal_paper_doi               10.1021/ma7020425
_journal_volume                  41
_journal_year                    2008
_chemical_formula_moiety         'C27 H42 N2 O6 '
_chemical_formula_sum            'C27 H42 N2 O6'
_chemical_formula_weight         490.64
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.127(5)
_cell_length_b                   20.474(6)
_cell_length_c                   10.506(4)
_cell_measurement_reflns_used    29912
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2608.5(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.082
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            20905
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1064.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.60
_refine_diff_density_min         -1.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     358
_refine_ls_number_reflns         16084
_refine_ls_R_factor_gt           0.0875
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    4.1432    3.4705    2.5277
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1089
_reflns_number_gt                16000
_reflns_number_total             3364
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ma7020425-file002.cif
_cod_data_source_block           General
_cod_original_cell_volume        2608.4(15)
_cod_original_formula_sum        'C27 H42 N2 O6 '
_cod_database_code               1504417