Crystallography Open Database

Information card for entry 1549424

Preview

Coordinates	1549424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N Na O5
Calculated formula	C18 H16 N Na O5
SMILES	[C@H]12[C@H]3[C@@H]([C@H](C=C1)C2)C(=O)N(C3=O)[C@H](C(=O)[O-])Cc1ccccc1.[Na+].O
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	20.7637 ± 0.0003 Å
b	20.7637 ± 0.0003 Å
c	6.5915 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	2461.07 ± 0.06 Å³
Cell temperature	130.01 ± 0.1 K
Ambient diffraction temperature	130.01 ± 0.1 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1549424.cif
207807	2018-05-16	cif/ Adding structures of 1549423, 1549424, 1549425 via cif-deposit CGI script.	1549424.cif