Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides: effective substrates for solid-state [2+2] photodimerization.
Yamada, Shinji; Nojiri, Yuka; Chemical communications (Cambridge, England) 47 (2011) 9143–9145; doi:10.1039/c1cc12572a

data_7112718
_publ_section_title
;
 Water-assisted assembly of (E)-arylvinylpyridine hydrochlorides:
 effective substrates for solid-state [2+2] photodimerization.
;
_journal_issue                   32
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9143
_journal_page_last               9145
_journal_paper_doi               10.1039/c1cc12572a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C34 H26 N2 '
_chemical_formula_sum            'C34 H26 N2'
_chemical_formula_weight         462.59
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 110.173(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.5616(6)
_cell_length_b                   9.5453(6)
_cell_length_c                   13.5147(7)
_cell_measurement_reflns_used    3170
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      64.9
_cell_measurement_theta_min      3.5
_cell_volume                     1278.89(13)
_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
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14679
_diffrn_reflns_theta_full        68.17
_diffrn_reflns_theta_max         68.17
_exptl_absorpt_coefficient_mu    0.535
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             488.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.18
_refine_ls_extinction_coef       0.015(2)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     328
_refine_ls_number_reflns         4523
_refine_ls_R_factor_gt           0.0761
_refine_ls_shift/su_max          1.0110
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1514P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2912
_reflns_number_gt                1914
_reflns_number_total             4523
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1cc12572a.txt
_cod_data_source_block           '_NAPHSYNHT1'
_cod_original_cell_volume        1278.89(12)
_cod_original_formula_sum        'C34 H26 N2 '
_cod_database_code               7112718