Crystallography Open Database

Information card for entry 2000002

2000001 << 2000002 >> 2000003

Preview

Coordinates	2000002.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(-)-(6'R)-3',6'-Epoxyaurapten
Formula	C19 H22 O4
Calculated formula	C19 H22 O4
SMILES	O=c1ccc2c(o1)cc(cc2)OC[C@H]1[C@]2(C)CC[C@H](C1(C)C)O2
Title of publication	Structure of (-)-(6'R)-3',6'-epoxyaurapten
Authors of publication	Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M.
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1988
Journal volume	44
Journal issue	7
Pages of publication	1262 - 1264
a	7.295 ± 0.003 Å
b	14.926 ± 0.008 Å
c	15.16 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1650.7 Å³
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
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.035
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
199648 (current)	2017-08-08	cif/2/00/00/ (antanas@echidna.ibt.lt) Updating bibliography in entries 2000002, 2000003, 2000004, 2000005, 2000006, 2000008, 2000009, 2000010, 2000011, 2000012, 2000013, 2000016, 2000018, 2000019, 2000020, 2000021, 2000022, 2000026, 2000028, 2000029, 2000030, 2000049, 2000050, 2000055, 2000056, 2000057.	2000002.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	2000002.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2000002.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.	2000002.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/'	2000002.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2000002.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.	2000002.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)	2000002.cif