Crystallography Open Database

Information card for entry 8100399

Preview

Coordinates	8100399.cif

Structure parameters

Common name	pimolin
Formula	C26 H20 O8
Calculated formula	C26 H20 O8
SMILES	O1c2c(C(=O)[C@H]3[C@]1(C)[C@@H]1[C@H]3c3c(cc4oc(cc(=O)c4c3OC)C)O1)c(OC)c1c(occ1)c2.O1c2c(C(=O)[C@@H]3[C@@]1(C)[C@H]1[C@@H]3c3c(cc4oc(cc(=O)c4c3OC)C)O1)c(OC)c1c(occ1)c2
Title of publication	Crystal structure of pimolin, C~26~H~20~O~8~
Authors of publication	Pal, A.; Pradhan, P.; Banerji, A.; Singh, T. P.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2003
Journal volume	218
Journal issue	3
Pages of publication	337 - 338
a	9.002 ± 0.002 Å
b	9.14 ± 0.002 Å
c	14.501 ± 0.003 Å
α	104.9 ± 0.03°
β	95.34 ± 0.03°
γ	113.83 ± 0.03°
Cell volume	1028.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100399.cif
106801	2014-03-16	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100399.cif
100883	2014-02-08	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one.	8100399.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100399.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	8100399.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.	8100399.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/'	8100399.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100399.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.	8100399.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)	8100399.cif