Information card for entry 7101524

Structure parameters

• Formula: C24 H44 O4 Si
• Calculated formula: C24 H44 O4 Si
• SMILES: C1(=O)CCC[C@@H]([C@H](CC(=CC[C@H]([C@H](CC(=O)C)C)O1)C)C)O[Si](C)(C)C(C)(C)C
• Title of publication: Synthesis of the mycolactone core by ring-closing metathesis
• Authors of publication: Alexander, Matthew D.; Fontaine, Shaun D.; La Clair, James J.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Burkart, Michael D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 44
• Pages of publication: 4602 - 4604
• a: 7.615 ± 0.0009 Å
• b: 13.9 ± 0.0017 Å
• c: 23.912 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2531 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0658
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No