Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids with α,β-Unsaturated Ketones.
Wang, Jia-Ni; Chen, Si-Qi; Liu, Zhong-Wen; Shi, Xian-Ying; The Journal of organic chemistry 84 (2019) 1348–1362; doi:10.1021/acs.joc.8b02820

data_4037558
_publ_section_title
;
 Divergent Syntheses of Spiroindanones and 2-Substituted 1-Indanones by
 Ruthenium-Catalyzed Tandem Coupling and Cyclization of Aromatic Acids
 with \a,\b-Unsaturated Ketones.
;
_journal_issue                   3
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1348
_journal_page_last               1362
_journal_paper_doi               10.1021/acs.joc.8b02820
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C15 H18 O2'
_chemical_formula_sum            'C15 H18 O2'
_chemical_formula_weight         230.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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Olex2 1.2
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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 14 omega   39.00  109.00   1.0000    4.8000
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 17 omega   40.00   98.00   1.0000    4.8000
omega____ theta____ kappa____ phi______ frames
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 18 omega   11.00  105.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
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 19 omega   21.00  105.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
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 20 omega   21.00  105.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   57.0000  120.0000 84

 21 omega  -30.00   65.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
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 22 omega   11.00  105.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
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 23 omega  -29.00   55.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
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 24 omega   11.00  105.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
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 25 omega   91.00  176.00   1.0000    4.8000
omega____ theta____ kappa____ phi______ frames
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 26 omega   87.00  178.00   1.0000    4.8000
omega____ theta____ kappa____ phi______ frames
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 27 omega   81.00  176.00   1.0000    4.8000
omega____ theta____ kappa____ phi______ frames
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 28 omega   38.00   90.00   1.0000    4.8000
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 29 omega   39.00  109.00   1.0000    4.8000
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 30 omega   70.00  178.00   1.0000    4.8000
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 31 omega   87.00  178.00   1.0000    4.8000
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 32 omega   11.00  103.00   1.0000    1.2000
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 33 omega   19.00  107.00   1.0000    1.2000
omega____ theta____ kappa____ phi______ frames
    -       37.7849   37.0000  -60.0000 88
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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;
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'w=1/[\s^2^(Fo^2^)+(0.0732P)^2^+0.7859P] where P=(Fo^2^+2Fc^2^)/3'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C008(H008), C00G(H00G)
2.b Secondary CH2 refined with riding coordinates:
 C00C(H00A,H00B), C00H(H00Q,H00S), C00I(H00T,H00V), C00J(H00W,H00X), C00K(H00C,
 H00D), C00N(H00E,H00F), C00T(H0AA,H), C00X(H00K,H00L)
2.c Aromatic/amide H refined with riding coordinates:
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2.d Idealised Me refined as rotating group:
 C00O(H00H,H00I,H00J), C00V(H1AA,HA,HB), C00W(H2AA,HC,HD), C00Y(H00M,H00N,H00O)
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