Information card for entry 1502577

Structure parameters

• Formula: C16 H22 O4
• Calculated formula: C16 H22 O4
• SMILES: O=C1[C@]23O[C@@H]4OC(O[C@@H]4[C@H]2CC(=C[C@@H]3CCC1)C)(C)C
• Title of publication: Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.
• Authors of publication: Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6078 - 6081
• a: 7.0739 ± 0.0009 Å
• b: 13.657 ± 0.0016 Å
• c: 14.9355 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1442.9 ± 0.3 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: 0.0336
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No