Information card for entry 2005568

Structure parameters

• Formula: C10 H14 F6
• Calculated formula: C10 H14 F6
• SMILES: FCC1(CCC(CC1)(CF)C(F)F)C(F)F
• Title of publication: Three 1,4-<i>trans</i>-Substituted Cyclohexanes
• Authors of publication: Swenson, D. C.; Davis, C. R.; Burton, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2844 - 2847
• a: 8.807 ± 0.003 Å
• b: 11.447 ± 0.003 Å
• c: 10.644 ± 0.003 Å
• α: 90°
• β: 98.54 ± 0.03°
• γ: 90°
• Cell volume: 1061.2 ± 0.6 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No