Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization.
Homs, Anna; Muratore, Michael E.; Echavarren, Antonio M.; Organic letters 17 (2015) 461–463; doi:10.1021/ol503531n

data_1518583
_publ_section_title
;
 Enantioselective Total Synthesis of (-)-Nardoaristolone B via a
 Gold(I)-Catalyzed Oxidative Cyclization.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              461
_journal_page_last               463
_journal_paper_doi               10.1021/ol503531n
_journal_volume                  17
_journal_year                    2015
_chemical_absolute_configuration ad
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;
 Fullsphere data collection, phi and omega scans
;
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_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
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_refine_ls_abs_structure_details
;
 Flack x determined using 2612 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.30(18)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0355
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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^)+(0.0531P)^2^+0.0831P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0915
_reflns_Friedel_coverage         0.668
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.687
_reflns_number_gt                6677
_reflns_number_total             7025
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol503531n_si_001.cif
_cod_data_source_block           mo_MMuNardo_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 1518583.cif.
;
_cod_original_cell_volume        1206.15(11)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               1518583
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_shelx_res_checksum              67141
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