Crystallography Open Database

Information card for entry 7203761

7203760 << 7203761 >> 7203762

Preview

Coordinates	7203761.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,5-dibromo-2,7-dinitrofluorenone
Formula	C13 H4 Br2 N2 O5
Calculated formula	C13 H4 Br2 N2 O5
SMILES	c1c(cc(c2c3c(cc(cc3C(=O)c12)N(=O)=O)Br)Br)N(=O)=O
Title of publication	Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions
Authors of publication	Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc
Journal of publication	Green Chemistry
Year of publication	2005
Journal volume	7
Journal issue	6
Pages of publication	413
a	10.366 ± 0.0002 Å
b	16.072 ± 0.0005 Å
c	8.312 ± 0.0002 Å
α	90°
β	103.372 ± 0.0018°
γ	90°
Cell volume	1347.26 ± 0.06 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.1155
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180368 (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 7/20/37.	7203761.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203761.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203761.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203761.cif