Information card for entry 4117100

Structure parameters

• Common name: 1,1,2,3-Tetrafluoro-cyclopropene
• Chemical name: 1,1,2,3-Fluoro-cyclopropene
• Formula: C3 F4
• Calculated formula: C3 F4
• SMILES: C1(F)(F)C(F)=C1F
• Title of publication: Perfluorocyclopropene: Experimental and Theoretical Studies of Its Structure in Gaseous, Solution, and Crystalline Phases
• Authors of publication: Basil T. Abdo; Ian L. Alberts; Christopher J. Attfield; R. Eric Banks; Alexander J. Blake; Paul T. Brain; A. Peter Cox; Colin R. Pulham; David W. H. Rankin; Heather E. Robertson; Vincent Murtagh; Axel Heppeler; Carole Morrison
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 209 - 216
• a: 8.282 ± 0.006 Å
• b: 5.14 ± 0.003 Å
• c: 8.268 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 352 ± 0.4 ų
• Cell temperature: 156 ± 0.2 K
• Ambient diffraction temperature: 156 ± 0.2 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.126
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No