Substituent Effects on the Stereochemistry in the [2 + 2] Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously Substituted Alkenes and Alkynes
Ken Kokubo; Hiroshi Yamaguchi; Tatsuya Kawamoto; Takumi Oshima; Journal of the American Chemical Society 124 (2002) 8912–8921; doi:10.1021/ja025593n

data_4114990
_publ_section_title
;
 Substituent Effects on the Stereochemistry in the [2 + 2]
 Photocycloaddition Reaction of Homobenzoquinone Derivative with Variously
 Substituted Alkenes and Alkynes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8912
_journal_page_last               8921
_journal_paper_doi               10.1021/ja025593n
_journal_volume                  124
_journal_year                    2002
_chemical_compound_source        'Local laboratory'
_chemical_formula_moiety         'C30 H28 O3'
_chemical_formula_sum            'C30 H28 O3'
_chemical_formula_weight         436.60
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'International Tables (1974)'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.50(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.495(9)
_cell_length_b                   12.480(7)
_cell_length_c                   8.88(1)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      10.8
_cell_volume                     2380(3)
_computing_cell_refinement       'MXC(MAC Science)'
_computing_data_collection       'MXC(MAC Science)'
_computing_data_reduction        Crystan
_computing_molecular_graphics    Crystan
_computing_publication_material  Crystan
_computing_structure_refinement  Crystan
_computing_structure_solution    Crystan
_diffrn_measurement_device       'Mac Science MXC3'
_diffrn_measurement_method       theta/2theta
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      0.04144
_diffrn_orient_matrix_UB_12      -0.03630
_diffrn_orient_matrix_UB_13      0.00918
_diffrn_orient_matrix_UB_21      0.02063
_diffrn_orient_matrix_UB_22      0.06705
_diffrn_orient_matrix_UB_23      -0.03368
_diffrn_orient_matrix_UB_31      0.00507
_diffrn_orient_matrix_UB_32      0.02465
_diffrn_orient_matrix_UB_33      0.10720
_diffrn_radiation_type           'Mo K-alpha'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4853
_diffrn_reflns_theta_max         24.64
_diffrn_standards_decay_%        16.656
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0721
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.639
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     388
_refine_ls_number_reflns         2080
_refine_ls_R_factor_obs          0.088
_refine_ls_shift/esd_max         0.0380
_refine_ls_shift/esd_mean        0.0028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'Count statistics'
_refine_ls_wR_factor_obs         0.103
_reflns_number_observed          2080
_reflns_number_total             3341
_reflns_observed_criterion       refl_observed_if_I_>_2.00_sigma(I)
_cod_data_source_file            ja025593n_s2_2.cif
_cod_data_source_block           compound_exo-3e
_cod_original_cell_volume        2379(3)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               4114990