Crystallography Open Database

Information card for entry 1557821

Preview

Coordinates	1557821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O8
Calculated formula	C20 H28 O8
SMILES	[C@H]1(C(=O)C[C@H]([C@@H]2C[C@@]3([C@@]4([C@@H]([C@@]12C)[C@H]([C@H]1[C@@H]([C@@]4([C@H](C(=O)O1)O3)O)C)O)C)O)C)O
Title of publication	Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects
Authors of publication	Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying
Journal of publication	Journal of Natural Products
Year of publication	2020
a	7.2655 ± 0.0001 Å
b	10.1927 ± 0.0001 Å
c	24.3238 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1801.3 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0318
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
250943 (current)	2020-04-20	cif/ Adding structures of 1557821 via cif-deposit CGI script.	1557821.cif