Rhodium-Catalyzed [(3+2)+1] Carbocyclization Reactions of Alkynylidenecyclopropanes with Carbon Monoxide: Regiospecific Construction of Polysubstituted Phenols.
Evans, P. Andrew; Burnie, Andrew J.; Negru, Daniela E.; Organic letters 16 (2014) 4356–; doi:10.1021/ol501724s

data_1517392
_publ_section_title
;
 Rhodium-Catalyzed [(3+2)+1] Carbocyclization Reactions of
 Alkynylidenecyclopropanes with Carbon Monoxide: Regiospecific
 Construction of Polysubstituted Phenols.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              4356
_journal_paper_doi               10.1021/ol501724s
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C17 H18 Br N O3 S'
_chemical_formula_sum            'C17 H18 Br N O3 S'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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' Saint V8.30A and SADABS V2012/1 (Apex2, v2013.10-0; Bruker AXS)'
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' APEX2 software package v2013.10-0 (Bruker AXS)'
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' Saint V8.30A and SADABS V2012/1 (Apex2, v2013.10-0; Bruker AXS'
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;
;
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_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+24.9829P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
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_cod_data_source_file            ol501724s_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
;Adding full bibliography for 1517392.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        6528.6(11)
_cod_database_code               1517392
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