Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.
Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.; The Journal of organic chemistry 83 (2018) 14553–14567; doi:10.1021/acs.joc.8b02339

data_4035711
_publ_section_title
;
 Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via
 Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with
 3-Methylindoles and Carbonyls.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              14553
_journal_page_last               14567
_journal_paper_doi               10.1021/acs.joc.8b02339
_journal_volume                  83
_journal_year                    2018
_chemical_formula_moiety         'C30 H31 N3 O4 S'
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Olex2 1.2-alpha
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'w=1/[\s^2^(Fo^2^)+(0.0620P)^2^+0.5820P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Empirical' was
changed to 'empirical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4035711
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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:
 C00F(H00F), C00I(H00I), C00M(H00M)
2.b Secondary CH2 refined with riding coordinates:
 C00P(H00B,H00C), C00T(H00E,H00G), C00W(H00H,H00K), C00Z(H00U,H00W), C012(H01A,
 H01B)
2.c Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00D(H00D), C00J(H00J), C00N(H00N), C00O(H00O), C00Q(H00Q),
 C00R(H00R), C00S(H00S), C00V(H00V), C00Y(H00Y), C010(H010), C011(H011)
2.d Idealised Me refined as rotating group:
 C00X(H00L,H00P,H00T), C013(H01C,H01D,H01E)
;
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