Information card for entry 1517218

Structure parameters

• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• SMILES: C(=O)(C)OC1=C[C@@H]2[C@@H]3[C@@]41CCC(=O)[C@]4(C)CC[C@H]23
• Title of publication: Novel synthesis of right segment of solanoeclepin a.
• Authors of publication: Chuang, Hsiang-Yu; Isobe, Minoru
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4166 - 4169
• a: 6.8426 ± 0.0011 Å
• b: 12.785 ± 0.002 Å
• c: 29.768 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2604.2 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0781
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No