Crystallography Open Database

Information card for entry 1557272

Preview

Coordinates	1557272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 O12
Calculated formula	C35 H40 O12
SMILES	O1[C@]23[C@H](OC(=O)C)[C@@H]([C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](OC(=O)c4cocc4)[C@]2(COC(=O)C)[C@@H](OC(=O)C)CC[C@H]3C)C1(C)C
Title of publication	Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>.
Authors of publication	Fu, Yifan; Zhao, Weimin
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	2
Pages of publication	505 - 515
a	8.505 ± 0.0003 Å
b	9.1711 ± 0.0004 Å
c	10.7701 ± 0.0004 Å
α	100.159 ± 0.001°
β	99.818 ± 0.001°
γ	90.932 ± 0.001°
Cell volume	813.86 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
248714 (current)	2020-03-04	cif/ Updating files of 1557272 Original log message: Adding full bibliography for 1557272.cif.	1557272.cif
247986	2020-02-08	cif/ Adding structures of 1557272 via cif-deposit CGI script.	1557272.cif