Information card for entry 1502442

Structure parameters

• Formula: C15 H23 N O7
• Calculated formula: C15 H23 N O7
• SMILES: O1[C@H]([C@H](O)[C@H]2N(C(OC2)(C)C)C(=O)OC(C)(C)C)C(=C)OC1=O
• Title of publication: A useful synthetic equivalent of a hydroxyacetone enolate.
• Authors of publication: Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4720 - 4723
• a: 6.458 ± 0.005 Å
• b: 10.738 ± 0.001 Å
• c: 12.738 ± 0.001 Å
• α: 90°
• β: 102.324 ± 0.009°
• γ: 90°
• Cell volume: 863 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No