Information card for entry 2311735

Structure parameters

• Formula: C15 H10 F6 N2
• Calculated formula: C15 H10 F6 N2
• SMILES: FC(F)(F)c1ccc(/C=N/Nc2ccccc2C(F)(F)F)cc1
• Title of publication: Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
• Authors of publication: Dey, Dhananjay; Chopra, Deepak
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 781 - 793
• a: 8.2523 ± 0.0003 Å
• b: 8.3039 ± 0.0004 Å
• c: 11.793 ± 0.0005 Å
• α: 82.823 ± 0.002°
• β: 74.769 ± 0.002°
• γ: 61.428 ± 0.002°
• Cell volume: 684.78 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No