Information card for entry 7110930

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 O2
• SMILES: O[C@@]12C3(CC=CC3)[C@@](O)(CC=CC1)CCC2
• Title of publication: The synthesis of angularly fused tricyclic compounds via tandem ring closing metathesis reactions
• Authors of publication: Bassindale, Martin J.; Edwards, Andrew S.; Adams, Harry; Harrity, Joseph P. A.; Hamley, Peter
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1035
• a: 16.567 ± 0.006 Å
• b: 13.585 ± 0.005 Å
• c: 13.245 ± 0.004 Å
• α: 90°
• β: 128.712 ± 0.005°
• γ: 90°
• Cell volume: 2326 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No