Crystallography Open Database

Information card for entry 7062119

Preview

Coordinates	7062119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N3 O10
Calculated formula	C24 H23 N3 O10
SMILES	O=C(O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1c1cc(nc(c1)c1[nH+]cccc1)c1[nH+]cccc1.O.O.O.O
Title of publication	Comparative study on proton conductivity of a polypyridinyl multicarboxylate-based hydrogen-bonded organic framework and related chitosan composite membrane
Authors of publication	Kang, Lu-Lu; Zuo, Shuai-Wu; Han, Bing-Xue; Li, Gang
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	3
Pages of publication	1299 - 1307
a	7.9842 ± 0.0003 Å
b	18.7164 ± 0.0007 Å
c	15.8121 ± 0.0005 Å
α	90°
β	92.417 ± 0.003°
γ	90°
Cell volume	2360.79 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0899
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.2002
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
281546 (current)	2023-03-04	cif/ Updating files of 7062119 Original log message: Adding full bibliography for 7062119.cif.	7062119.cif
279713	2022-12-06	cif/ Adding structures of 7062119 via cif-deposit CGI script.	7062119.cif