Information card for entry 7107140

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O[C@@]12[C@]3(CCC=C1)[C@](O)(CCC2)CC=CC3.O[C@]12[C@@]3(CCC=C1)[C@@](O)(CCC2)CC=CC3
• 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: 8.9596 ± 0.0005 Å
• b: 14.2109 ± 0.0006 Å
• c: 18.8285 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2397.32 ± 0.19 ų
• Cell temperature: 299.1 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 significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No