Gold-Catalyzed [1,5]-Hydride Shift onto Unactivated Alkynes To Trigger an Intermolecular Diels-Alder Reaction.
Wu, Xiang; Chen, Shu-Sen; Hu, Yue; Gong, Liu-Zhu; Organic letters 16 (2014) 3820–; doi:10.1021/ol5017355

data_1516773
_publ_section_title
;
 Gold-Catalyzed [1,5]-Hydride Shift onto Unactivated Alkynes To Trigger an
 Intermolecular Diels-Alder Reaction.
;
_journal_issue                   14
_journal_name_full               'Organic letters'
_journal_page_first              3820
_journal_paper_doi               10.1021/ol5017355
_journal_volume                  16
_journal_year                    2014
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
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;
 Flack x determined using 2500 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.096(110)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6440
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_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0358
_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^)+(0.0564P)^2^+0.0773P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0950
_refine_ls_wR_factor_ref         0.0986
_reflns_Friedel_coverage         0.835
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_reflns_Friedel_fraction_max     0.959
_reflns_number_gt                5900
_reflns_number_total             6440
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelxl
_cod_depositor_comments          'Adding full bibliography for 1516773.cif.'
_cod_database_code               1516773
_shelx_estimated_absorpt_t_min   0.793
_shelx_estimated_absorpt_t_max   0.871
_shelxl_version_number           2013-4
_shelx_res_checksum              73282
_shelx_hkl_checksum              94518