Crystallography Open Database

Information card for entry 8105868

Preview

Coordinates	8105868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O6
Calculated formula	C19 H18 O6
SMILES	O1C(c2ccccc2)=CC(=O)c2c(OCCO)cc(OCCO)cc12
Title of publication	The crystal structure of 5,7-bis(2-hydroxyethoxy)-2-phenyl-4H-chromen-4-one, C19H18O6
Authors of publication	Yang, Ying; Shao, Jin; Zhao, Tong; Ma, Hui-Ping; Zhang, Dong-Mei; Jing, Lin-Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	843 - 844
a	9.94437 ± 0.00014 Å
b	8.33132 ± 0.00015 Å
c	22.5305 ± 0.0004 Å
α	90°
β	92.5633 ± 0.0014°
γ	90°
Cell volume	1864.78 ± 0.05 Å³
Cell temperature	295.22 ± 0.1 K
Ambient diffraction temperature	295.22 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
278178 (current)	2022-09-26	cif/ Adding structures of 8105868 via cif-deposit CGI script.	8105868.cif