Information card for entry 7251497

Structure parameters

• Formula: C20 H22 F4 N2 O2
• Calculated formula: C20 H22 F4 N2 O2
• Title of publication: Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments
• Authors of publication: Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 1494 - 1507
• a: 9.51 ± 0.0011 Å
• b: 11.0959 ± 0.0013 Å
• c: 19.198 ± 0.002 Å
• α: 90°
• β: 102.991 ± 0.004°
• γ: 90°
• Cell volume: 1974 ± 0.4 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102.4 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: 0.0917
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No