Information card for entry 7207431

Structure parameters

• Formula: C15 H9 F6 N O
• Calculated formula: C15 H9 F6 N O
• Title of publication: Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides
• Authors of publication: Panini, Piyush; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1972
• a: 12.8346 ± 0.0008 Å
• b: 8.061 ± 0.005 Å
• c: 14.155 ± 0.005 Å
• α: 90°
• β: 108.35 ± 0.005°
• γ: 90°
• Cell volume: 1390 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No