Information card for entry 7232322

Structure parameters

• Formula: C16 H10 F6 N2 O2
• Calculated formula: C16 H10 F6 N2 O2
• Title of publication: Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative
• Authors of publication: Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 1543
• a: 4.9806 ± 0.0004 Å
• b: 11.5051 ± 0.0008 Å
• c: 14.8528 ± 0.0012 Å
• α: 68.367 ± 0.005°
• β: 80.383 ± 0.004°
• γ: 78.374 ± 0.004°
• Cell volume: 770.89 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No