Information card for entry 7232321

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: 5.0637 ± 0.0004 Å
• b: 4.9677 ± 0.0004 Å
• c: 29.092 ± 0.002 Å
• α: 90°
• β: 94.332 ± 0.002°
• γ: 90°
• Cell volume: 729.72 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No