Information card for entry 7155145

Structure parameters

• Formula: C48 H76
• Calculated formula: C48 H76
• SMILES: c12cc(c(cc1CCCCCCCC)C=Cc1cc(c(C=C2)cc1CCCCCCCC)CCCCCCCC)CCCCCCCC
• Title of publication: Alkyl substituted [2.2]paracyclophane-1,9-dienes.
• Authors of publication: Lidster, Benjamin J.; Kumar, Dharam R.; Spring, Andrew M.; Yu, Chin-Yang; Helliwell, Madeleine; Raftery, James; Turner, Michael L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 25
• Pages of publication: 6079 - 6087
• a: 17.926 ± 0.012 Å
• b: 14.393 ± 0.01 Å
• c: 8.191 ± 0.006 Å
• α: 90°
• β: 93.891 ± 0.014°
• γ: 90°
• Cell volume: 2108 ± 3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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 all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No