Information card for entry 1554929

Structure parameters

• Formula: C14 H18 O5
• Calculated formula: C14 H18 O5
• SMILES: O([C@]12[C@]3(C(=O)OC[C@@H]1CC3)CC(=O)CCC2)C(=O)C.O([C@@]12[C@@]3(C(=O)OC[C@H]1CC3)CC(=O)CCC2)C(=O)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: 7.3423 ± 0.001 Å
• b: 8.4321 ± 0.0009 Å
• c: 10.4623 ± 0.0011 Å
• α: 85.681 ± 0.008°
• β: 85.985 ± 0.01°
• γ: 78.332 ± 0.01°
• Cell volume: 631.55 ± 0.13 ų
• Cell temperature: 185.1 ± 0.6 K
• Ambient diffraction temperature: 185.1 ± 0.6 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No