Information card for entry 2006305

Structure parameters

• Chemical name: 1,2,3,4,5,6-hexakispropylidene-cyclohexane
• Formula: C24 H36
• Calculated formula: C24 H36
• SMILES: CC/C=C1\C(=C\CC)C(=C\CC)\C(=C\CC)C(=C\CC)\C1=C\CC
• Title of publication: All-<i>E</i>-7,8,9,10,11,12-hexaethyl[6]radialene
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Höpfner, Thomas; Hopf, Henning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 920 - 921
• a: 19.578 ± 0.005 Å
• b: 14.508 ± 0.003 Å
• c: 7.979 ± 0.002 Å
• α: 90°
• β: 106.21 ± 0.02°
• γ: 90°
• Cell volume: 2176.2 ± 0.9 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections: 0.2205
• Weighted residual factors for significantly intense reflections: 0.1576
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No