Crystallography Open Database

Information card for entry 1557952

Preview

Coordinates	1557952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 O8
Calculated formula	C14 H20 O8
SMILES	C(O)[C@@H](O)[C@H]1O[C@H](O[C@H]([C@H]1O)CO)c1ccc(c(c1)OC)O
Title of publication	Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures.
Authors of publication	Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B.
Journal of publication	Soft matter
Year of publication	2020
Journal volume	16
Journal issue	19
Pages of publication	4640 - 4654
a	8.92283 ± 0.00014 Å
b	4.60123 ± 0.00007 Å
c	17.4539 ± 0.0003 Å
α	90°
β	92.9088 ± 0.0015°
γ	90°
Cell volume	715.66 ± 0.02 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0258
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
252933 (current)	2020-06-05	cif/ Updating files of 1557951, 1557952 Original log message: Adding full bibliography for 1557951--1557952.cif.	1557952.cif
251269	2020-04-29	cif/ Adding structures of 1557951, 1557952 via cif-deposit CGI script.	1557952.cif