Information card for entry 7247052

Structure parameters

• Formula: C16 H19 F3 N4 O2
• Calculated formula: C16 H19 F3 N4 O2
• Title of publication: Role of mechanochemical synthesis in the crystal chemistry of leflunomide
• Authors of publication: Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 34
• Pages of publication: 4779 - 4792
• a: 10.8564 ± 0.0014 Å
• b: 7.7062 ± 0.0009 Å
• c: 38.699 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3237.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.19
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No