Crystallography Open Database

Information card for entry 1557853

Preview

Coordinates	1557853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 O4
Calculated formula	C15 H24 O4
SMILES	O[C@@](C1=C[C@@]2(C(=O)C)[C@@H](O)CC[C@]2(CC1)C)(CO)C.O[C@](C1=C[C@]2(C(=O)C)[C@H](O)CC[C@@]2(CC1)C)(CO)C
Title of publication	Cyperane-Type and Related (Nor)Sesquiterpenoids from the Root Bark of Acanthopanax gracilistylus and Their Inhibitory Effects on Nitric Oxide Production
Authors of publication	Xu, Hong-Bo; Yang, Tong-Hua; Xie, Pei; Tang, Zhi-Shu; Xu, Huai-Li; Deng, Chong; Liang, Yan-Ni; Zhou, Rui; Liu, Shi-Jun; Zhang, Yu
Journal of publication	Journal of Natural Products
Year of publication	2020
a	8.5031 ± 0.0011 Å
b	8.6453 ± 0.0011 Å
c	9.5875 ± 0.0013 Å
α	82.846 ± 0.003°
β	86.058 ± 0.003°
γ	88.035 ± 0.003°
Cell volume	697.42 ± 0.16 Å³
Cell temperature	153 K
Ambient diffraction temperature	153.02 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
251047 (current)	2020-04-22	cif/ Adding structures of 1557853 via cif-deposit CGI script.	1557853.cif