Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl Compounds: Important Role of the Tethered Alcohol of α,β-Unsaturated Carbonyl Compounds on Reaction Rate and Regioselectivity.
Yao, Hongliang; Song, Liyan; Liu, Yuan; Tong, Rongbiao; The Journal of organic chemistry 79 (2014) 8774–8785; doi:10.1021/jo501604e

data_4029913
_publ_section_title
;
 Cascade Michael Addition/Cycloketalization of Cyclic 1,3-Dicarbonyl
 Compounds: Important Role of the Tethered Alcohol of \a,\b-Unsaturated
 Carbonyl Compounds on Reaction Rate and Regioselectivity.
;
_journal_issue                   18
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              8774
_journal_page_last               8785
_journal_paper_doi               10.1021/jo501604e
_journal_volume                  79
_journal_year                    2014
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
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XL, G.M. Sheldrick, Acta Cryst.
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SHELXS, G.M. Sheldrick, Acta Cryst.
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omega____ theta____ kappa____ phi______ frames
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  8 omega -115.00  -69.00   1.0000    1.0000
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 10 omega   47.00   78.00   1.0000    1.0000
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 11 omega   54.00   79.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
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 12 omega   84.00  116.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 13 omega   78.00  103.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 14 omega   44.00   97.00   1.0000    1.5000
omega____ theta____ kappa____ phi______ frames
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 15 omega   57.00  101.00   1.0000    1.5000
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 16 omega  100.00  158.00   1.0000    1.5000
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 17 omega   82.00  177.00   1.0000    1.5000
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 18 omega   80.00  106.00   1.0000    1.5000
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 20 omega   77.00  176.00   1.0000    1.5000
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 21 omega  132.00  161.00   1.0000    1.5000
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 22 omega   77.00  103.00   1.0000    1.5000
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 23 omega  153.00  178.00   1.0000    1.5000
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 24 omega   81.00  106.00   1.0000    1.5000
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 25 omega   61.00  149.00   1.0000    1.5000
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 26 omega   77.00  103.00   1.0000    1.5000
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 27 omega   84.00  110.00   1.0000    1.5000
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 30 omega   44.00   69.00   1.0000    1.5000
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;
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0471P)^2^+0.3945P] where P=(Fo^2^+2Fc^2^)/3'
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4029910--4029917.cif.
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