[2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a crystalline state: weak intermolecular interactions as important factors determining efficiency of the solid-state photoreaction
Tadashi Hasegawa; Kaori Ikeda; Yuko Yamazaki; Journal of the Chemical Society, Perkin Transactions 1  (2001) 3025–3028; doi:10.1039/B105970J

data_7238067
_publ_section_title
;
 [2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a
 crystalline state: weak intermolecular interactions as important factors
 determining efficiency of the solid-state photoreaction
;
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              3025
_journal_page_last               3028
_journal_paper_doi               10.1039/B105970J
_journal_year                    2001
_chemical_formula_sum            'C52 H50 N2 O6'
_chemical_formula_weight         798.98
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     'direct methods'
_atom_sites_solution_secondary   'Fourier difference'
_audit_creation_date             2001-06-06
_audit_creation_method           ' by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.467(7)
_cell_length_b                   5.519(9)
_cell_length_c                   20.166(7)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      6.7
_cell_measurement_theta_min      3.3
_cell_volume                     2055(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       ' MSC/AFC Diffractometer Control '
_computing_data_reduction        CrystalStructure
_computing_publication_material  ' CrystalStructure Ver. 2.00'
_computing_structure_refinement  ' CRYSTALS '
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296.1
_diffrn_measurement_device_type  ' Rigaku AFC6S '
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.382
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            5384
_diffrn_reflns_theta_max         27.56
_diffrn_standards_decay_%        -0.15
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_description       orthogonal
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.61
_refine_diff_density_min         -3.05
_refine_ls_extinction_coef       23.5(1)
_refine_ls_extinction_method
' Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.565
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     294
_refine_ls_number_reflns         4729
_refine_ls_R_factor_gt           0.1390
_refine_ls_shift/su_max          1.2350
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0890
_reflns_number_total             5228
_reflns_observed_criterion       >-10.00sigma(I)
_cod_data_source_file            b105970j.cif
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_cod_original_cell_volume        2055.3(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_original_formula_sum        'C52 H50 N2 O6 '
_cod_database_code               7238067