Synchronized Propagation Mechanism for Crystalline-State Polymerization of p-Xylylenediammonium Disorbate
Nagahama, Sadamu; Matsumoto, Akikazu; Journal of the American Chemical Society 123 (2001) 12176–12181; doi:10.1021/ja011575e

data_4122319
_publ_section_title
;
 Synchronized Propagation Mechanism for Crystalline-State Polymerization
 of p-Xylylenediammonium Disorbate
;
_journal_coden_ASTM              JACSAT
_journal_issue                   49
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12176
_journal_page_last               12181
_journal_paper_doi               10.1021/ja011575e
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'C20 H28 N2 O4'
_chemical_formula_weight         360.46
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.030(2)
_cell_angle_beta                 96.110(3)
_cell_angle_gamma                93.385(3)
_cell_formula_units_Z            1
_cell_length_a                   5.6799(5)
_cell_length_b                   16.997(2)
_cell_length_c                   4.9876(5)
_cell_measurement_reflns_used    2515
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     477.93(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 1.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.9036
_diffrn_measured_fraction_theta_max 0.9036
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_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       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            2756
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.732
_refine_ls_number_parameters     140
_refine_ls_number_reflns         1640
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.0090
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.003Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                1634
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_duplicate_entry             4115836
_cod_data_source_file            ja011575e.cif
_cod_data_source_block           '_p-Xylylenediammoniumdisor'
_cod_original_cell_volume        477.93(7)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C10 H14 N O2 '
_cod_database_code               4122319