Information card for entry 1554927

Structure parameters

• Formula: C16 H18 O
• Calculated formula: C16 H18 O
• SMILES: O[C@@H]1CC2=C(Cc3c(cccc3)C=C2)C1(C)C
• Title of publication: Domino enyne metathesis en route to skeletally diverse, privileged scaffolds: synthesis of the tricyclic core of pseudolaric acid F
• Authors of publication: Lin, Minggui; Cui, Hao; Hua, Yuhui; Zhang, Yandong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 2771
• a: 20.961 ± 0.008 Å
• b: 20.961 ± 0.008 Å
• c: 7.086 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2696.2 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No