DOI: 10.14469/hpc/10787 Metadata

Created: 2022-08-04 09:51

Last modified: 2022-08-04 10:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Crystal structure data

Files

Filename	Size	Type	Description
6d.mol	3KB	chemical/x-mdl-molfile	Molfile connection table
CB1812-6d.cif	355KB	chemical/x-cif	CIF coordinate information
CB1812.zip.tar.gz	131MB	application/gzip	Raw image data in gzip compression format
CB1812.zip.7z	130MB	application/x-7z-compressed	Raw image data in 7Z compression format

Member of collection / collaboration

DOI	Description
10.14469/hpc/10705	Crystal structure data for (±)-Polysiphenol and other Analogues via Symmetrical Intermolecular Dimerizations: a Synthetic, Spectroscopic, Structural and Computational Study

Subject Keywords

Keyword	Value
inchi	InChI=1S/C24H32O4/c1-7-9-17-21-15(13-19(25-3)23(17)27-5)11-12-16-14-20(26-4)24(28-6)18(10-8-2)22(16)21/h13-14H,7-12H2,1-6H3
inchi	InChI=1S/C23H26O4.CH.5H/c1-6-8-16-20-14(12-18(25-3)22(16)24)10-11-15-13-19(26-4)23(27-5)17(9-7-2)21(15)20;;;;;;/h12-13H,3,7-11H2,1-2,4-5H3;1H;;;;;
inchikey	RZHFADDTHBQNAI-UHFFFAOYSA-N
inchikey	PSZHENQKKJBCBO-UHFFFAOYSA-N

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