N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent Construction of Enantiopure Bridged Lactones and Fused Indenes.
Wang, Zhan-Yong; Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying; The Journal of organic chemistry 81 (2016) 11871–11881; doi:10.1021/acs.joc.6b02329

data_4037435
_publ_section_title
;
 N-Heterocyclic Carbene/Lewis Acid Dual Catalysis for the Divergent
 Construction of Enantiopure Bridged Lactones and Fused Indenes.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11871
_journal_page_last               11881
_journal_paper_doi               10.1021/acs.joc.6b02329
_journal_volume                  81
_journal_year                    2016
_chemical_formula_sum            'C24 H17 Br'
_chemical_formula_weight         385.28
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
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_cell_angle_beta                 93.387(7)
_cell_angle_gamma                90
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_cell_length_b                   11.699(5)
_cell_length_c                   7.487(3)
_cell_measurement_reflns_used    3735
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.72
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_av_unetI/netI     0.0603
_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         25.249
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_exptl_absorpt_coefficient_mu    2.411
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.380
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_refine_diff_density_min         -0.805
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_refine_ls_R_factor_all          0.0751
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+13.5415P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.1807
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2803
_reflns_number_total             3074
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo6b02329_si_003.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_max   0.714
_shelx_res_checksum              79276
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