Synthesis of Benzonorcaradienes by Gold(I)-Catalyzed [4+3] Annulation
David J. Gorin; Pascal Dubé; F. Dean Toste; Journal of the American Chemical Society 128 (2006) 14480–14481; doi:10.1021/ja066694e

data_4111076
_publ_section_title
;
 Synthesis of Benzonorcaradienes by Gold(I)-Catalyzed [4+3] Annulation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14480
_journal_page_last               14481
_journal_paper_doi               10.1021/ja066694e
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C17 H18 O2 '
_chemical_formula_sum            'C17 H18 O2'
_chemical_formula_weight         254.33
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             'Tue Aug 15 13:41:28 2006'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 113.978(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.545(2)
_cell_length_b                   8.875(2)
_cell_length_c                   9.964(2)
_cell_measurement_reflns_used    1703
_cell_measurement_temperature    115.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      3.5
_cell_volume                     690.4(3)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 1.6616
_diffrn_measured_fraction_theta_max 1.6616
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3092
_diffrn_reflns_theta_full        24.70
_diffrn_reflns_theta_max         24.70
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.885
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_description       blocklike
_exptl_crystal_F_000             272.00
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.10
_refine_diff_density_min         -0.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.851
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     171
_refine_ls_number_reflns         1834
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0405
_refine_ls_wR_factor_ref         0.0397
_reflns_number_gt                1834
_reflns_number_total             2087
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja066694esi20060916_121336.cif
_cod_data_source_block           Britt_Corkey_DJG-1
_cod_original_sg_symbol_H-M      'P 21 '
_cod_original_formula_sum        'C17 H18 O2 '
_cod_database_code               4111076