Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate
Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita; Journal of the American Chemical Society 122 (2000) 10210–10211; doi:10.1021/ja001064c

data_4116182
_publ_section_title
;
 Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction
 of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair
 Intermediate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10210
_journal_page_last               10211
_journal_paper_doi               10.1021/ja001064c
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C21 H17 N O2'
_chemical_formula_weight         315.00
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.453(3)
_cell_length_b                   18.572(5)
_cell_length_c                   8.107(2)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298(2)
_cell_volume                     1724.4(8)
_computing_cell_refinement       'MXC(MAC Science)'
_computing_data_collection       'MXC(MAC Science)'
_computing_data_reduction        'maXusBruker SAINTL'
_computing_molecular_graphics    maXus
_computing_publication_material  maXus
_computing_structure_refinement  maXus
_computing_structure_solution    maXus
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device_type  'Mac Science MXC18'
_diffrn_measurement_method       theta/2theta
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1967
_diffrn_reflns_theta_max         53.89
_diffrn_reflns_theta_min         1
_exptl_absorpt_coefficient_mu    0.6217
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_description       cube
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         837
_refine_ls_restrained_S_all      1.839
_refine_ls_R_factor_gt           0.044
_refine_ls_shift/su_max          0.1692
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.044
_reflns_number_gt                837
_reflns_number_total             1628
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ja001064c_2.cif
_cod_data_source_block           C~21~H~17~O~2~N
_cod_original_cell_volume        1724.5(8)
_cod_original_formula_sum        'C21 H17 O2 N'
_cod_database_code               4116182