Information card for entry 7150573

Structure parameters

• Formula: C15 H16 O4
• Calculated formula: C15 H16 O4
• SMILES: C1(=O)OC[C@H]2[C@@]31[C@@]1(O[C@H]2C(=O)C(=C1)C)C=C(CC3)C
• Title of publication: A concise total synthesis of (±)-anthecularin
• Authors of publication: Li, Yi; Nawrat, Christopher C.; Pattenden, Gerald; Winne, Johan M.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 639 - 640
• a: 6.5457 ± 0.0009 Å
• b: 12.2932 ± 0.0015 Å
• c: 30.973 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2492.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No