Information card for entry 7151827

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: O=C1C[C@H]2CCC[C@]34[C@@](O)(CCC1=C24)CC[C@@H]3O.O=C1C[C@@H]2CCC[C@@]34[C@](O)(CCC1=C24)CC[C@H]3O
• 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: 11.2484 ± 0.0009 Å
• b: 8.5765 ± 0.0005 Å
• c: 12.9938 ± 0.0009 Å
• α: 90°
• β: 105.921 ± 0.003°
• γ: 90°
• Cell volume: 1205.45 ± 0.15 ų
• Cell temperature: 120.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No