Information card for entry 1506176

Structure parameters

• Formula: C20 H32 O3
• Calculated formula: C20 H32 O3
• SMILES: O[C@H]([C@@H]([C@](O)([C@H](O)CCC)CC=C)CCCC)c1ccccc1.O[C@@H]([C@H]([C@@](O)([C@@H](O)CCC)CC=C)CCCC)c1ccccc1
• 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: 11.4318 ± 0.0011 Å
• b: 11.9829 ± 0.0011 Å
• c: 16.2499 ± 0.0016 Å
• α: 70.808 ± 0.002°
• β: 87.714 ± 0.002°
• γ: 80.765 ± 0.002°
• Cell volume: 2074.8 ± 0.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1697
• Residual factor for significantly intense reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.3737
• Weighted residual factors for all reflections included in the refinement: 0.3986
• Goodness-of-fit parameter for all reflections included in the refinement: 2.664
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No