Information card for entry 1506175

Structure parameters

• Formula: C25 H42 O3 Si
• Calculated formula: C25 H42 O3 Si
• SMILES: [Si]1(O[C@@H]([C@H](C(=O)[C@@H](O1)CCC)CCCC)c1ccccc1)(C(C)(C)C)C(C)(C)C.[Si]1(O[C@H]([C@@H](C(=O)[C@H](O1)CCC)CCCC)c1ccccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.
• Authors of publication: Clark, Timothy B.; Woerpel, K. A.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 4109 - 4112
• a: 9.8222 ± 0.001 Å
• b: 15.7753 ± 0.0016 Å
• c: 17.0784 ± 0.0017 Å
• α: 90°
• β: 100.61 ± 0.002°
• γ: 90°
• Cell volume: 2601 ± 0.5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No