Crystallography Open Database

Information card for entry 1518775

Preview

Coordinates	1518775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O4
Calculated formula	C20 H28 O4
SMILES	O[C@@H]1C[C@@]23[C@H](C(C1)(C)C)C[C@H](OC3)c1c2c(O)c(O)c(c1)C(C)C
Title of publication	Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.
Authors of publication	Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	4
Pages of publication	630 - 638
a	10.734 ± 0.007 Å
b	12.344 ± 0.004 Å
c	13.282 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1759.9 ± 1.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1518775.cif
138262	2015-06-05	cif/ Updating files of 1518774, 1518775 Original log message: Adding full bibliography for 1518774--1518775.cif.	1518775.cif
133044	2015-03-05	cif/ Adding structures of 1518775 via cif-deposit CGI script.	1518775.cif