Information card for entry 7151828

Structure parameters

• Formula: C14 H16 O2
• Calculated formula: C14 H16 O2
• SMILES: O=C1C[C@@H]2[C@@]34C(=CC[C@H]4C(=O)CC[C@H]13)CC2.O=C1C[C@H]2[C@]34C(=CC[C@@H]4C(=O)CC[C@@H]13)CC2
• 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: 8.5532 ± 0.0017 Å
• b: 18.428 ± 0.005 Å
• c: 8.108 ± 0.0017 Å
• α: 93.05 ± 0.02°
• β: 118.249 ± 0.014°
• γ: 94.88 ± 0.02°
• Cell volume: 1115.3 ± 0.5 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 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: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No