Information card for entry 2214036

Structure parameters

• Chemical name: 3-[(2,4-Dinitrophenyl)hydrazono]-4,4,4-trifluoro-1-phenylbutan-1-one
• Formula: C16 H11 F3 N4 O5
• Calculated formula: C16 H11 F3 N4 O5
• SMILES: FC(F)(F)C(=N/Nc1c(N(=O)=O)cc(N(=O)=O)cc1)/CC(=O)c1ccccc1
• Title of publication: 3-[(2,4-Dinitrophenyl)hydrazono]-4,4,4-trifluoro-1-phenylbutan-1-one
• Authors of publication: Jing, Zuo-Liang; Zhang, Shu-Juan; Yang, Nan; Feng, Shou-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3203 - o3203
• a: 12.67 ± 0.002 Å
• b: 8.8499 ± 0.0014 Å
• c: 15.846 ± 0.003 Å
• α: 90°
• β: 108.08 ± 0.003°
• γ: 90°
• Cell volume: 1689.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes