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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2000002.html