Crystallography Open Database

Information card for entry 1559419

Preview

Coordinates	1559419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34 O4
Calculated formula	C20 H34 O4
SMILES	c1(c(C(C)(C)C)cc(c(c1)C(C)(C)C)OCCOC)OCCOC
Title of publication	Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules
Authors of publication	Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2020
a	6.8597 ± 0.0004 Å
b	8.1506 ± 0.0005 Å
c	9.6464 ± 0.0006 Å
α	113.283 ± 0.001°
β	103.766 ± 0.001°
γ	91.103 ± 0.001°
Cell volume	477.29 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
258642 (current)	2020-10-30	cif/ Adding structures of 1559419 via cif-deposit CGI script.	1559419.cif