Information card for entry 7151829

Structure parameters

• Formula: C15 H18 O2
• Calculated formula: C15 H18 O2
• SMILES: O=C1C[C@H]2CCC[C@H]3[C@@H]4[C@@H](CC1=C23)C(=O)CC4.O=C1C[C@@H]2CCC[C@@H]3[C@H]4[C@H](CC1=C23)C(=O)CC4
• Title of publication: Vinylogous anionic processes in the formation and interconversion of tetracyclic ring systems.
• Authors of publication: Thornton, Paul D.; Cameron, T. Stanley; Burnell, D. Jean
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3447 - 3456
• a: 8.3858 ± 0.0002 Å
• b: 8.9432 ± 0.0004 Å
• c: 16.6524 ± 0.0014 Å
• α: 82.616 ± 0.011°
• β: 76.245 ± 0.009°
• γ: 83.941 ± 0.014°
• Cell volume: 1199.33 ± 0.13 ų
• Cell temperature: 120.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No