Information card for entry 7107137

Structure parameters

• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: O[C@@]12[C@@]3(CCCC=CC1)[C@](O)(CC2)CC=CC3.O[C@]12[C@]3(CCCC=CC1)[C@@](O)(CC2)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: 9.3448 ± 0.0002 Å
• b: 12.5431 ± 0.0004 Å
• c: 10.2747 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.33 ± 0.06 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No