Crystallography Open Database

Information card for entry 7218265

Preview

Coordinates	7218265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N4 O6
Calculated formula	C19 H18 N4 O6
SMILES	C1(=O)N(C2=C(C(=O)N1C)C(c1c(cccc1)O2)C1C(=O)N(C(=O)N(C1=O)C)C)C
Title of publication	1,1’-sulfinyldipyridinium bis (hydrogen sulfate) ionic liquid: synthesis and its application towards temperature influenced synthesis of novel pyranopyrimidinediones and pyranopyrimidinetriones
Authors of publication	POre, Dattaprasad Marutrao; Patil, Jayavant D.
Journal of publication	RSC Adv.
Year of publication	2014
a	12.558 ± 0.0004 Å
b	8.9152 ± 0.0003 Å
c	16.7021 ± 0.0006 Å
α	90°
β	101.931 ± 0.002°
γ	90°
Cell volume	1829.52 ± 0.11 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
180513 (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 7/21/82.	7218265.cif
124257	2014-09-26	cif/ Adding structures of 7218265 via cif-deposit CGI script.	7218265.cif