Information card for entry 4108565

Structure parameters

• Formula: C48 H30
• Calculated formula: C48 H30
• SMILES: C123C(C4=C1c1c(C=Cc5c4cccc5)cccc1)(C1=C2c2c(C=Cc4c1cccc4)cccc2)c1c(C=Cc2c3cccc2)cccc1
• Title of publication: Reactions of Strained Hydrocarbons with Alkene and Alkyne Metathesis Catalysts
• Authors of publication: Matthew Carnes; Daniela Buccella; Theo Siegrist; Michael L. Steigerwald; Colin Nuckolls
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14078 - 14079
• a: 16.4909 ± 0.0006 Å
• b: 10.7097 ± 0.0004 Å
• c: 18.2991 ± 0.0006 Å
• α: 90°
• β: 93.922 ± 0.003°
• γ: 90°
• Cell volume: 3224.3 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1704
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.1711
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No