Information card for entry 7150448

Structure parameters

• Chemical name: octafluoro-1,2-dimethylenecyclobutane
• Formula: C6 F8
• Calculated formula: C6 F8
• SMILES: FC(=C1C(F)(F)C(F)(F)C1=C(F)F)F
• Title of publication: Experimental charge density of octafluoro-1,2-dimethylenecyclobutane: atomic volumes and charges in a perfluorinated hydrocarbon
• Authors of publication: Lentz, Dieter; Patzschke, Mona; Bach, Ansgar; Scheins, Stephan; Luger, Peter
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 409 - 414
• a: 8.134 ± 0.001 Å
• b: 7.111 ± 0.0008 Å
• c: 12.699 ± 0.002 Å
• α: 90°
• β: 100.87 ± 0.01°
• γ: 90°
• Cell volume: 721.34 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 2.52
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No