Au(I)-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions of Münchnones with Electron-Deficient Alkenes
Asa D. Melhado; Marco Luparia; F. Dean Toste; Journal of the American Chemical Society 129 (2007) 12638–12639; doi:10.1021/ja074824t

data_4110041
_publ_section_title
;
 Au(I)-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions of
 M\"unchnones with Electron-Deficient Alkenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12638
_journal_page_last               12639
_journal_paper_doi               10.1021/ja074824t
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C28 H25 N3 O3 '
_chemical_formula_sum            'C28 H25 N3 O3'
_chemical_formula_weight         451.52
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Wed Sep  5 12:03:46 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2609(8)
_cell_length_b                   12.219(2)
_cell_length_c                   36.953(5)
_cell_measurement_reflns_used    1928
_cell_measurement_temperature    154.2
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      2.5
_cell_volume                     2375.4(6)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.631'
_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 0.9980
_diffrn_measured_fraction_theta_max 0.9980
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       5
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_diffrn_reflns_limit_l_max       41
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_diffrn_reflns_number            10554
_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.991
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_description       '[shape]'
_exptl_crystal_F_000             952.00
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.473
_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.0028
_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         0.0639
_refine_ls_wR_factor_ref         0.0621
_reflns_number_gt                1693
_reflns_number_total             2030
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja074824tsi20070912_103600.cif
_cod_data_source_block           Asa_Melhado_fusion_product
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C28 H25 N3 O3 '
_cod_database_code               4110041