Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.
Long, Zhen; Yang, Yudong; You, Jingsong; Organic letters 19 (2017) 2781–2784; doi:10.1021/acs.orglett.7b00982

data_1556048
_publ_section_title
;
 Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A
 Regioselective Approach to 2H-Indazoles.
;
_journal_issue                   11
_journal_name_full               'Organic letters'
_journal_page_first              2781
_journal_page_last               2784
_journal_paper_doi               10.1021/acs.orglett.7b00982
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C22 H24 Cl N2 O Rh'
_chemical_formula_sum            'C22 H24 Cl N2 O Rh'
_chemical_formula_weight         470.79
_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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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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;
  1 omega   18.00  106.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
    -       36.4171   38.0000 -150.0000 88

  2 omega  -35.00   66.00   1.0000    3.7800
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  3 omega  -31.00   53.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
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  4 omega    1.00   75.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
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  5 omega    1.00   75.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
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  6 omega   23.00   90.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
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  7 omega   38.00   91.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
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  8 omega   40.00   98.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
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  9 omega   38.00   91.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
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 10 omega   87.00  178.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
    -      108.0000   30.0000  -90.0000 91

 11 omega   39.00  109.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
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 12 omega   38.00  116.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   90.0000 78

 13 omega  100.00  178.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
    -      108.0000  111.0000  -90.0000 78

 14 omega   38.00   91.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
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 15 omega   57.00  150.00   1.0000   15.1200
omega____ theta____ kappa____ phi______ frames
    -      108.0000  178.0000 -180.0000 93

 16 omega   18.00   56.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
    -       36.4171   38.0000  -60.0000 38

 17 omega   10.00  104.00   1.0000    3.7800
omega____ theta____ kappa____ phi______ frames
    -       36.4171   77.0000  -30.0000 94
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_diffrn_orient_matrix_UB_23      -0.0613071000
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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'w=1/[\s^2^(Fo^2^)+(0.1041P)^2^+0.0173P] 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
 At 1.5 times of:
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2.a Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00E(H00E), C00F(H00F), C00G(H00G), C00I(H00I), C00J(H00J),
 C00K(H00K), C00L(H00L), C00O(H00O)
2.b Idealised Me refined as rotating group:
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;
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_olex2_submission_special_instructions 'No special instructions were received'