Crystallography Open Database

Information card for entry 1544415

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Structure parameters

Formula	C30 H48 O5
Calculated formula	C30 H48 O5
SMILES	O[C@H]1C(C2=C(C[C@H]3CC[C@@]4([C@H](CC[C@]4([C@@H]3CC2)C(=O)O)[C@@H](CCC(=O)C(O)(C)C)C)C)CC1)(C)C
Title of publication	Antiviral Triterpenes from the Twigs and Leaves of Lyonia ovalifolia
Authors of publication	Lv, Xiao-Jing; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Li, Yu-Huan; Zhang, Dan; Li, Li; Yu, Shi-Shan
Journal of publication	Journal of Natural Products
Year of publication	2016
a	11.3157 ± 0.0004 Å
b	38.855 ± 0.0013 Å
c	13.6376 ± 0.0006 Å
α	90°
β	113.036 ± 0.005°
γ	90°
Cell volume	5517.9 ± 0.4 Å³
Cell temperature	104.7 K
Ambient diffraction temperature	104.7 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	0.0529
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1544415.cif
187692	2016-10-30	cif/ Adding structures of 1544415 via cif-deposit CGI script.	1544415.cif