Information card for entry 7110929

Structure parameters

• Formula: C17 H24 O3
• Calculated formula: C17 H24 O3
• SMILES: O1[C@@]2(C3(CC=CC3)[C@](OC1=O)(CCC2)CC=C)CC=C
• 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: 9.8448 ± 0.0009 Å
• b: 13.2382 ± 0.0012 Å
• c: 11.0507 ± 0.001 Å
• α: 90°
• β: 99.152 ± 0.002°
• γ: 90°
• Cell volume: 1421.9 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No