Information card for entry 2231582

Structure parameters

• Chemical name: 2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)aniline
• Formula: C10 H10 F4 N2
• Calculated formula: C10 H10 F4 N2
• SMILES: FC1(F)C(F)(F)CN(c2c(cccc2)N)C1
• Title of publication: 2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)aniline
• Authors of publication: Cao, Wanwan; Zhong, Jun-wen; Wang, Jin; Liu, Pei-lian; Zeng, Zhuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2220
• a: 6.791 ± 0.013 Å
• b: 8.185 ± 0.016 Å
• c: 18.66 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1037 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes