Crystallography Open Database

Information card for entry 1520721

1520720 << 1520721 >> 1520722

Preview

Coordinates	1520721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 O3
Calculated formula	C20 H32 O3
Title of publication	ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.
Authors of publication	Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	7
Pages of publication	1635 - 1646
a	6.1311 ± 0.0002 Å
b	17.3576 ± 0.0007 Å
c	8.5062 ± 0.0004 Å
α	90°
β	98.395 ± 0.002°
γ	90°
Cell volume	895.54 ± 0.06 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
152862 (current)	2015-08-05	cif/ Updating files of 1520720, 1520721, 1520722 Original log message: Adding full bibliography for 1520720--1520722.cif.	1520721.cif
139887	2015-07-02	cif/ Adding structures of 1520721 via cif-deposit CGI script.	1520721.cif