Au(I)-Catalyzed Cycloisomerizations Terminated by sp3 C-H Bond Insertion
Yoshikazu Horino; Takuya Yamamoto; Kohki Ueda; Shigeyasu Kuroda; F. Dean Toste; Journal of the American Chemical Society 131 (2009) 2809–2811; doi:10.1021/ja808780r

data_4103971
_publ_section_title
;
 Au(I)-Catalyzed Cycloisomerizations Terminated by sp3 C-H Bond Insertion
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2809
_journal_page_last               2811
_journal_paper_doi               10.1021/ja808780r
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C22 H22 '
_chemical_formula_sum            'C22 H22'
_chemical_formula_weight         286.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.39(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.285(2)
_cell_length_b                   10.405(3)
_cell_length_c                   13.546(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      10.8
_cell_volume                     1580.7(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  'teXsan Ver. 2.0'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9996
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5061
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.40
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             616.00
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.500
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.398
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2034
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.0000
_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
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                2034
_reflns_number_total             4815
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja808780r_si_003.cif
_cod_data_source_block           benzosuberone-derivatives
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C22 H22 '
_cod_database_code               4103971