Crystallography Open Database

Information card for entry 1549425

Preview

Coordinates	1549425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 N2 O6
Calculated formula	C26 H40 N2 O6
SMILES	O=C([O-])[C@@H](N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Cc1ccccc1.O.O.[N+](CC)(CC)(CC)CC
Title of publication	Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Authors of publication	Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	23
Pages of publication	5233 - 5241
a	8.8976 ± 0.0003 Å
b	9.7399 ± 0.0003 Å
c	15.4155 ± 0.0005 Å
α	93.972 ± 0.001°
β	99.602 ± 0.001°
γ	107.215 ± 0.001°
Cell volume	1248.19 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
228827 (current)	2019-11-17	cif/ Updating files of 1549423, 1549424, 1549425 Original log message: Adding full bibliography for 1549423--1549425.cif.	1549425.cif
207807	2018-05-16	cif/ Adding structures of 1549423, 1549424, 1549425 via cif-deposit CGI script.	1549425.cif