Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines
Shinji Yamada; Naoko Uematsu; Kaori Yamashita; Journal of the American Chemical Society 129 (2007) 12100–12101; doi:10.1021/ja074874y

data_4109991
_publ_section_title
;
 Role of Cation-\p Interactions in the Photodimerization of
 trans-4-Styrylpyridines
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12100
_journal_page_last               12101
_journal_paper_doi               10.1021/ja074874y
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C26 H24 Cl2 N2 '
_chemical_formula_sum            'C26 H24 Cl2 N2'
_chemical_formula_weight         435.39
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.5394(13)
_cell_angle_gamma                90.0000
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_cell_length_b                   9.3575(2)
_cell_length_c                   16.7753(4)
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_cell_measurement_temperature    123.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.1
_cell_volume                     2252.14(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
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_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
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_diffrn_reflns_limit_h_max       16
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_exptl_absorpt_coefficient_mu    2.696
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_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.40
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_refine_diff_density_max         2.20
_refine_diff_density_min         -0.35
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_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     273
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_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1661P)^2^+0.6253P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_formula_sum        'C26 H24 Cl2 N2 '
_cod_database_code               4109991