Macromolecular dictionary (mmCIF) version 2.0.09
Category PUBL
Name:'publ'
Description:
Data items in the PUBL category are used when submitting a manuscript for publication.Examples:
Example 1 - based on data set TOZ of Willis, Beckwith & Tozer
[Acta Cryst. (1991), C47, 2276-2277].
_publ.section_title
; trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-
1,3-oxazolidin-5-one
;
_publ.section_abstract
; The oxazolidinone ring is a shallow envelope
conformation with the tert-butyl and iso-butyl groups
occupying trans-positions with respect to the ring. The
angles at the N atom sum to 356.2\%, indicating a very
small degree of pyramidalization at this atom. This is
consistent with electron delocalization between the N
atom and the carbonyl centre [N-C=O = 1.374(3)\%A].
;
|
Example 2 - based on C~31~H~48~N~4~O~4~, reported by Coleman, Patrick,
Andersen & Rettig [Acta Cryst. (1996), C52, 1525-1527].
_publ.section_title
; Hemiasterlin methyl ester
;
_publ.section_title_footnote
; IUPAC name: methyl 2,5-dimethyl-4-{2-[3-methyl-
2-methylamino-3-(N-methylbenzo[b]pyrrol-
3-yl)butanamido]-3,3-dimethyl-N-methyl-
butanamido}-2-hexenoate.
;
|
Category groups:
inclusive_group
iucr_group
Category key:
_publ.entry_id
Mandatory category: no


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