One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.
Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.; The Journal of organic chemistry 82 (2017) 6729–6737; doi:10.1021/acs.joc.7b00865

data_4032599
_publ_section_title
;
 One-Pot Multicatalytic Approaches for the Synthesis of
 Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              6729
_journal_page_last               6737
_journal_paper_doi               10.1021/acs.joc.7b00865
_journal_volume                  82
_journal_year                    2017
_chemical_formula_moiety         'C20 H19 N O2 S'
_chemical_formula_sum            'C20 H19 N O2 S'
_chemical_formula_weight         337.45
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     iterative
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Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
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CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
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CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
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CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
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;
scan:
    Number of images: 483
               Slice: -69.0000 - 75.9000
         Image width: 0.3000
            Exp time: 10.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 54.0000
                 Phi: 120.0000
                 XTD: 49.8600
              2theta: 29.8900
scan:
    Number of images: 533
               Slice: -69.0000 - 90.9000
         Image width: 0.3000
            Exp time: 10.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 54.0000
                 Phi: 0.0000
                 XTD: 49.8600
              2theta: 29.8900
scan:
    Number of images: 500
               Slice: -32.0000 - 118.0000
         Image width: 0.3000
            Exp time: 10.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 54.0000
                 Phi: 240.0000
                 XTD: 49.8600
              2theta: 29.8900
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XtaLABmini: Fixed Chi 2 circle
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Rigaku Mercury375R (2x2 bin mode)
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_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Prism
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'w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            jo7b00865_si_002.cif
_cod_data_source_block           abc
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4032599.cif.
;
_cod_database_code               4032599
_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 Secondary CH2 refined with riding coordinates:
 C8(H8a,H8b), C17(H17a,H17b), C21(H21a,H21b)
2.b Aromatic/amide H refined with riding coordinates:
 C16(H16), C20(H20), C22(H22), C1aa(H1aa), C5aa(H5aa), C6(H6), C2aa(H2aa),
 C10(H10), C3aa(H3aa), C4aa(H4aa)
2.c Idealised Me refined as rotating group:
 C6aa(H6aa,H6ab,H6ac)
;
_olex2_submission_special_instructions 'No special instructions were received'