Crystallography Open Database

Information card for entry 1518774

Preview

Coordinates	1518774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 O6
Calculated formula	C17 H24 O6
SMILES	[C@H]1(C[C@@H]([C@@H]([C@H]2CC3=C(C(=O)O[C@@]3(C[C@]12C)O)C)C)OC(=O)C)O
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	19.391 ± 0.014 Å
b	6.455 ± 0.007 Å
c	15.383 ± 0.012 Å
α	90°
β	115.322 ± 0.013°
γ	90°
Cell volume	1740 ± 3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54187 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.	1518774.cif
138262	2015-06-05	cif/ Updating files of 1518774, 1518775 Original log message: Adding full bibliography for 1518774--1518775.cif.	1518774.cif
133042	2015-03-05	cif/ Adding structures of 1518774 via cif-deposit CGI script.	1518774.cif