Crystallography Open Database

Information card for entry 1543365

Preview

Coordinates	1543365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 O3
Calculated formula	C20 H26 O3
SMILES	O1[C@]23[C@H]4C(=C[C@H]2[C@@H](C[C@H]2C([C@H]2[C@@H]3C=C([C@]4(O)C1=O)C)(C)C)C)C
Title of publication	Euphorikanin A, a Diterpenoid Lactone with a Fused 5/6/7/3 Ring System from Euphorbia kansui.
Authors of publication	Fei, Dong-Qing; Dong, Le-Le; Qi, Feng-Ming; Fan, Gai-Xia; Li, Hui-Hong; Li, Zheng-Yu; Zhang, Zhan-Xin
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2844 - 2847
a	6.66247 ± 0.00009 Å
b	16.2362 ± 0.0002 Å
c	16.4824 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1782.95 ± 0.05 Å³
Cell temperature	293.7 ± 0.3 K
Ambient diffraction temperature	293.7 ± 0.3 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	0.0447
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
184970 (current)	2016-08-05	cif/ Updating files of 1543365 Original log message: Adding full bibliography for 1543365.cif.	1543365.cif
183113	2016-05-28	cif/ Adding structures of 1543365 via cif-deposit CGI script.	1543365.cif