Information card for entry 1506636

Structure parameters

• Formula: C14 H20 O
• Calculated formula: C14 H20 O
• SMILES: O=C1C=C[C@@H]2[C@H]3CC[C@H]([C@@H]([C@H]12)C3(C)C)C
• Title of publication: Stereoselective Nazarov cyclizations of bridged bicyclic dienones.
• Authors of publication: Mazzola, Jr, Robert D; White, Timothy D.; Vollmer-Snarr, Heidi R; West, F. G.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 13
• Pages of publication: 2799 - 2801
• a: 6.3088 ± 0.0002 Å
• b: 12.2906 ± 0.0007 Å
• c: 15.0145 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1164.21 ± 0.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 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 all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No