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