Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates
Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata; Journal of the American Chemical Society 121 (1999) 11122–11129; doi:10.1021/ja992558g

data_4116621
_publ_section_title
;
 Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium)
 (Z,Z)-Muconates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11122
_journal_page_last               11129
_journal_paper_doi               10.1021/ja992558g
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C11 H14 N O3'
_chemical_formula_weight         208.24
_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'
_audit_creation_date             'Fri Jul  2 15:46:35 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                98.043(7)
_cell_angle_beta                 98.117(6)
_cell_angle_gamma                97.42(2)
_cell_formula_units_Z            2
_cell_length_a                   9.366(3)
_cell_length_b                   10.858(4)
_cell_length_c                   5.599(3)
_cell_measurement_reflns_used    1552
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.7
_cell_volume                     551.7(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296.2
_diffrn_detector_area_resol_mean 0.010000
_diffrn_measurement_device_type  'Rigaku RAXIS-IV'
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_av_sigmaI/netI    0.065
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2152
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  1.613
_exptl_absorpt_correction_T_min  0.314
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_description       platelet
_exptl_crystal_F_000             222.00
_exptl_crystal_size_max          1.000
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.33
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.722
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1045
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1647
_refine_ls_R_factor_gt           0.1647
_refine_ls_shift/su_max          0.0890
_refine_ls_shift/su_mean         0.0250
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^) + 0.04000(Fo^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4025
_refine_ls_wR_factor_ref         0.4025
_reflns_number_gt                1045
_reflns_number_total             2152
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja992558g_5.cif
_cod_data_source_block           4_OMe
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C11 H14 N O3 '
_cod_database_code               4116621