Crystallography Open Database

Information card for entry 8105049

Preview

Coordinates	8105049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O10
Calculated formula	C20 H24 O10
SMILES	c12c(cc3c(c1)oc(=O)cc3)[C@@H]([C@H](C(C)(C)O[C@@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)O)O2)O
Title of publication	Crystal structure of 2-((2-(3-hydroxy-7-methylene-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol – a marmesin derivative, C20H24O10
Authors of publication	Li, Yu-Yan; Nie, Xu-Liang; Fu, Xiao-Xiang; Li, Bao-Tong; Peng, Wen-Wen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	171 - 173
a	6.3728 ± 0.0006 Å
b	14.3835 ± 0.0014 Å
c	20.453 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1874.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0292
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274384 (current)	2022-04-06	cif/ Adding structures of 8105049 via cif-deposit CGI script.	8105049.cif