Crystallography Open Database

Information card for entry 7209624

7209623 << 7209624 >> 7209625

Preview

Coordinates	7209624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N2 O8
Calculated formula	C20 H18 N2 O8
SMILES	C(=C\c1cccc[nH+]1)/c1cccc[nH+]1.C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(O)/C=C/C(=O)O
Title of publication	Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance
Authors of publication	Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	15
Pages of publication	2795
a	3.88 ± 0.003 Å
b	10.058 ± 0.006 Å
c	12.438 ± 0.009 Å
α	76.64 ± 0.03°
β	88.3 ± 0.04°
γ	82.26 ± 0.04°
Cell volume	468 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0715
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209624.cif
86058	2013-05-09	cif/ Adding structures of 7209623, 7209624 via cif-deposit CGI script.	7209624.cif