Crystallography Open Database

Information card for entry 7219062

7219061 << 7219062 >> 7219063

Preview

Coordinates	7219062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O8
Calculated formula	C26 H20 N2 O8
SMILES	C(=O)(c1cccc(c1)C(=O)O)O.n1ccc(c2ccncc2)cc1.C(=O)(c1cc(ccc1)C(=O)O)O
Title of publication	Acid base co‒crystal converted into porous carbon material for energy storage devices
Authors of publication	Khan, Inayat Ali; Badshah, Amin; Altaf, Ataf Ali; Tahir, Muhammad Nawaz; haider, naghma; Nadeem, Muhammad
Journal of publication	RSC Adv.
Year of publication	2014
a	4.7699 ± 0.0003 Å
b	7.0007 ± 0.0005 Å
c	17.3241 ± 0.0013 Å
α	99.217 ± 0.004°
β	94.411 ± 0.004°
γ	95.138 ± 0.004°
Cell volume	566.28 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219062.cif
128572	2014-12-13	cif/ Adding structures of 7219062 via cif-deposit CGI script.	7219062.cif