Information card for entry 7107138

Structure parameters

• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: O[C@]12CCC=CCC[C@]31CC=CC[C@@]3(O)CC2
• 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: 9.1625 ± 0.0007 Å
• b: 9.861 ± 0.0009 Å
• c: 13.9682 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1262.05 ± 0.19 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No