Crystallography Open Database

Information card for entry 8100795

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Coordinates	8100795.cif
External links	ChemSpider

Structure parameters

Formula	C20 H28 O5
Calculated formula	C20 H28 O5
SMILES	C1(=O)CC[C@@]([C@H]2C[C@@H]([C@]34[C@H]([C@]12C)[C@@H](C[C@H](C3)C(=C)C4)O)O)(C)C(=O)O
Title of publication	Crystal structure of ent-(7β,11α)-dihydroxy-1-oxo-kaur-16-en-19-oic acid, C~20~H~28~O~5~
Authors of publication	Punnapayak, H.; Pechwang, J.; Chaichit, N.; Jaiboon, N.; Pornpakakul, S.; Petsom, A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2002
Journal volume	217
Journal issue	4
Pages of publication	603 - 604
a	7.8782 ± 0.0001 Å
b	14.2772 ± 0.0002 Å
c	15.7818 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1775.12 ± 0.04 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202018 (current)	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8100795.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100795.cif
103378	2014-03-04	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100795.cif
100680	2014-02-06	cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes.	8100795.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100795.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8100795.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8100795.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100795.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8100795.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8100795.cif