Information card for entry 4108557

Structure parameters

• Formula: C13 H19 O7
• Calculated formula: C13 H19 O7
• SMILES: O.O1C(=O)[C@@H]([C@H]([C@H]1C(=O)C1CCOCC1)CC)C(=O)O
• Title of publication: Catalytic Asymmetric Intermolecular Stetter Reaction of Glyoxamides with Alkylidenemalonates
• Authors of publication: Qin Liu; Stéphane Perreault; Tomislav Rovis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14066 - 14067
• a: 8.973 ± 0.0014 Å
• b: 10.0535 ± 0.0015 Å
• c: 15.128 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1364.7 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No