Information card for entry 4024243

Structure parameters

• Formula: C10 H18 O4
• Calculated formula: C10 H18 O4
• SMILES: C1(=O)[C@H]([C@H]([C@H]([C@@H](O1)[C@H](CO)C)C)O)C.C1(=O)[C@@H]([C@@H]([C@@H]([C@H](O1)[C@@H](CO)C)C)O)C
• Title of publication: Stereopentads Derived from a Sequence of Mukaiyama Aldolization and Free Radical Reduction on α-Methyl-β-alkoxy Aldehydes: A General Strategy for Efficient Polypropionate Synthesis
• Authors of publication: Jean-François Brazeau; Philippe Mochirian; Michel Prévost; Yvan Guindon
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 64 - 74
• a: 8.6992 ± 0.0003 Å
• b: 9.7549 ± 0.0004 Å
• c: 13.8934 ± 0.0006 Å
• α: 83.301 ± 0.003°
• β: 86.487 ± 0.003°
• γ: 69.316 ± 0.002°
• Cell volume: 1095.21 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections: 0.931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No