Information card for entry 7207428

Structure parameters

• Formula: C14 H10 F3 N O
• Calculated formula: C14 H10 F3 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: 13.8471 ± 0.0004 Å
• b: 8.6097 ± 0.0002 Å
• c: 10.0943 ± 0.0003 Å
• α: 90°
• β: 100.131 ± 0.003°
• γ: 90°
• Cell volume: 1184.67 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No