Crystallography Open Database

Information card for entry 1520720

1520719 << 1520720 >> 1520721

Preview

Coordinates	1520720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 Cl3 O2
Calculated formula	C21 H31 Cl3 O2
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	22.6971 ± 0.0004 Å
b	11.6034 ± 0.0002 Å
c	19.6097 ± 0.0006 Å
α	90°
β	124.027 ± 0.001°
γ	90°
Cell volume	4280.19 ± 0.18 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1520720.cif
139886	2015-07-02	cif/ Adding structures of 1520720 via cif-deposit CGI script.	1520720.cif