Information card for entry 4103915

Structure parameters

• Formula: C24 H37 I O4
• Calculated formula: C24 H37 I O4
• SMILES: IC[C@@H]1[C@H](C[C@]23OC(=O)[C@]4(C(=O)[C@H]([C@H](O[C@@H]34)[C@@H](C[C@@H](CCC[C@H]2C1)C)C)C)C)C
• Title of publication: Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis
• Authors of publication: Amos B. Smith III; Todd Bosanac; Kallol Basu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2348 - 2358
• a: 10.8093 ± 0.0009 Å
• b: 11.143 ± 0.001 Å
• c: 20.0215 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2411.6 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No