Information card for entry 7107136

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• Title of publication: Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis
• Authors of publication: Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 233
• a: 8.9125 ± 0.001 Å
• b: 13.3287 ± 0.0015 Å
• c: 19.424 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2307.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No