Information card for entry 4024350

Structure parameters

• Formula: C11 H22 O4
• Calculated formula: C11 H22 O4
• Title of publication: Highly Diastereoselectiveanti-Aldol Reactions of Glycolate Titanium Enolates
• Authors of publication: Dnyaneshwar Gawas; Uli Kazmaier
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1788 - 1790
• a: 13.875 ± 0.003 Å
• b: 6.1786 ± 0.0012 Å
• c: 15.772 ± 0.003 Å
• α: 90°
• β: 101.37 ± 0.03°
• γ: 90°
• Cell volume: 1325.6 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No