Crystallography Open Database

Information card for entry 7244761

Preview

Coordinates	7244761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 O5
Calculated formula	C21 H34 O5
SMILES	O=C(O)[C@@]1(CCC[C@@]2([C@@H]1CC[C@]13[C@H]2C[C@@H](O)[C@H](C1)[C@H](C3=O)C)C)C.OC
Title of publication	New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity
Authors of publication	Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	18
Pages of publication	11155 - 11163
a	11.7128 ± 0.0003 Å
b	7.992 ± 0.0002 Å
c	11.8269 ± 0.0003 Å
α	90°
β	115.224 ± 0.001°
γ	90°
Cell volume	1001.54 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.031
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
274467 (current)	2022-04-12	cif/ Adding structures of 7244760, 7244761, 7244762, 7244763, 7244764, 7244765, 7244766 via cif-deposit CGI script.	7244761.cif