Crystallography Open Database

Information card for entry 1504463

Preview

Coordinates	1504463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 O4
Calculated formula	C15 H20 O4
SMILES	O1OCC(=C2[C@@H]3C=C(C(=O)C[C@@H]3[C@H](C[C@@]12O)C)C)C
Title of publication	Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.
Authors of publication	He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.
Journal of publication	Journal of natural products
Year of publication	2008
Journal volume	71
Journal issue	8
Pages of publication	1485 - 1488
a	14.058 ± 0.002 Å
b	14.058 ± 0.002 Å
c	15.624 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2674.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504463.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504463.cif
42082	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504463 via cif-deposit CGI script.	1504463.cif