Crystallography Open Database

Information card for entry 1553318

Preview

Coordinates	1553318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 O5
Calculated formula	C20 H26 O5
Title of publication	Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.
Authors of publication	Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li
Journal of publication	Journal of natural products
Year of publication	2018
Journal volume	81
Journal issue	7
Pages of publication	1508 - 1516
a	11.6575 ± 0.0003 Å
b	9.7318 ± 0.0002 Å
c	15.2642 ± 0.0004 Å
α	90°
β	93.137 ± 0.001°
γ	90°
Cell volume	1729.11 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.08 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	0.0428
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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