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_7112719
_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           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            12
_cell_length_a                   22.5434(4)
_cell_length_b                   8.91677(10)
_cell_length_c                   49.7495(10)
_cell_measurement_reflns_used    27369
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      68.1
_cell_measurement_theta_min      3.6
_cell_volume                     10000.4(3)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.069
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_number            104123
_diffrn_reflns_theta_full        68.20
_diffrn_reflns_theta_max         68.20
_exptl_absorpt_coefficient_mu    0.411
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2928.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.23
_refine_ls_extinction_coef       0.00014(4)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     651
_refine_ls_number_reflns         9132
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1003P)^2^+0.4697P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2166
_reflns_number_gt                4163
_reflns_number_total             9132
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1cc12572a.txt
_cod_data_source_block           '_NAPHANTIHT1'
_cod_original_formula_sum        'C34 H26 N2 '
_cod_database_code               7112719