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_4114991
_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_formula_sum            'C27 H30 O2'
_chemical_formula_weight         386.53
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.183(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   27.450(2)
_cell_length_c                   14.9497(9)
_cell_measurement_reflns_used    22372
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      2.0
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_computing_cell_refinement       PROCESS-AUTO
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_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
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_diffrn_measured_fraction_theta_full 0.9256
_diffrn_measured_fraction_theta_max 0.9256
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
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_diffrn_reflns_av_R_equivalents  0.089
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_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_description       needle
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_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -0.59
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           compound4h
_cod_original_cell_volume        4378.7(4)
_cod_original_formula_sum        'C27 H30 O2 '
_cod_database_code               4114991