Information card for entry 1502578

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C15 H24 O3
• SMILES: O1[C@]23[C@H](O)[C@@H](CC[C@@H]2[C@@H](CC[C@@H]3[C@H](C1=O)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: 8.672 ± 0.003 Å
• b: 9.491 ± 0.003 Å
• c: 9.253 ± 0.003 Å
• α: 90°
• β: 112.782 ± 0.006°
• γ: 90°
• Cell volume: 702.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No