C(sp(2))-H Functionalization of 2H-Indazoles at C3-Position via Palladium(II)-Catalyzed Isocyanide Insertion Strategy Leading to Diverse Heterocycles.
Vidyacharan, Shinde; Murugan, Arumugavel; Sharada, Duddu S.; The Journal of organic chemistry 81 (2016) 2837–2848; doi:10.1021/acs.joc.6b00048

data_4031959
_publ_section_title
;
 C(sp(2))-H Functionalization of 2H-Indazoles at C3-Position via
 Palladium(II)-Catalyzed Isocyanide Insertion Strategy Leading to Diverse
 Heterocycles.
;
_journal_issue                   7
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2837
_journal_page_last               2848
_journal_paper_doi               10.1021/acs.joc.6b00048
_journal_volume                  81
_journal_year                    2016
_chemical_formula_moiety         'C20 H19 N3 O'
_chemical_formula_sum            'C20 H19 N3 O'
_chemical_formula_weight         317.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
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Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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  1 omega  -59.00  -32.00   1.0000    2.0100
omega____ theta____ kappa____ phi______ frames
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  2 omega   -4.00   21.00   1.0000    8.0500
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omega____ theta____ kappa____ phi______ frames
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  4 omega  -10.00   28.00   1.0000    8.0500
omega____ theta____ kappa____ phi______ frames
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  5 omega  -48.00   29.00   1.0000    8.0500
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  6 omega -105.00  -20.00   1.0000    8.0500
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  7 omega   39.00   88.00   1.0000    8.0500
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  8 omega   45.00   93.00   1.0000    8.0500
omega____ theta____ kappa____ phi______ frames
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  9 omega   73.00  168.00   1.0000    8.0500
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 10 omega   39.00   83.00   1.0000    8.0500
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 11 omega   50.00   93.00   1.0000    8.0500
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 12 omega   39.00   98.00   1.0000    8.0500
omega____ theta____ kappa____ phi______ frames
    -      110.3105  -45.0000  -48.0000 59

 13 omega   43.00  109.00   1.0000    8.0500
omega____ theta____ kappa____ phi______ frames
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 14 omega   43.00  132.00   1.0000    8.0500
omega____ theta____ kappa____ phi______ frames
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
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_diffrn_radiation_monochromator  mirror
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_diffrn_reflns_av_R_equivalents  0.0185
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_diffrn_source                   'SuperNova (Cu) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colourless
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'w=1/[\s^2^(Fo^2^)+(0.0672P)^2^+0.4508P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            jo6b00048_si_002.cif
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_cod_database_code               4031959
_chemical_oxdiff_formula         'C20 H19 N3 O'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C20(H20a,H20b), C19(H19a,H19b), C18(H18a,H18b), C16(H16a,H16b), C17(H17a,H17b)
2.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C6(H6), C8(H8), C7(H7), C14(H14), C13(H13), C11(H11), C12(H12)
;
_olex2_submission_special_instructions 'No special instructions were received'