Information card for entry 3500009

Structure parameters

• Chemical name: decafluorocyclohexene
• Formula: C6 F10
• Calculated formula: C6 F10
• SMILES: C1(C(C(C(=C(C1(F)F)F)F)(F)F)(F)F)(F)F
• Title of publication: Data reduction to |Fhkl|
• Authors of publication: Armel Le Bail
• Journal of publication: Personal communication to COD
• Year of publication: 2012
• a: 11.915 ± 0.003 Å
• b: 7.247 ± 0.002 Å
• c: 9.663 ± 0.002 Å
• α: 90°
• β: 113.34 ± 0.01°
• γ: 90°
• Cell volume: 766.1 ± 0.3 ų
• Cell temperature: 4.2 K
• Ambient diffraction temperature: 4.2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.909 Å
• Diffraction radiation type: ConstantWavelengthNeutronDiffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No