Crystallography Open Database

Information card for entry 7244765

Preview

Coordinates	7244765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 O6
Calculated formula	C20 H32 O6
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	6.6713 ± 0.0002 Å
b	19.5694 ± 0.0007 Å
c	7.1999 ± 0.0002 Å
α	90°
β	92.551 ± 0.001°
γ	90°
Cell volume	939.04 ± 0.05 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	0.0503
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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