Information card for entry 7203761

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 ų
• 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 Fobs: No