Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter
Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min; Organic Chemistry Frontiers 6 (2019) 2506–; doi:10.1039/C9QO00611G

data_1554967
_publ_section_title
;
 Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of
 ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic
 skeletons with a quaternary all-carbon stereocenter
;
_journal_issue                   14
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              2506
_journal_paper_doi               10.1039/C9QO00611G
_journal_volume                  6
_journal_year                    2019
_chemical_formula_sum            'C18 H22 Br N O2 S'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-05-11 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      4.840
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_reflns_Laue_measured_fraction_full 0.972
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_exptl_absorpt_correction_T_max  0.7456
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_exptl_crystal_description       prismatic
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.1743
_refine_ls_R_factor_gt           0.0841
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1090P)^2^+2.4096P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3162
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           d8v18391
_cod_original_cell_volume        1804.0(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1554967
_shelx_estimated_absorpt_t_min   0.714
_shelx_estimated_absorpt_t_max   0.931
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_shelx_res_checksum              36439
_shelx_hkl_checksum              80964