Information card for entry 4023935

Structure parameters

• Formula: C14 H17 N O5
• Calculated formula: C14 H17 N O5
• Title of publication: Asymmetric Synthesis of β-Nitro Ketones via Michael Addition of Lithiated α-Amino Nitriles to Nitroalkenes
• Authors of publication: Dieter Enders; Dominik Förster; Gerhard Raabe; Jan W. Bats
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9641 - 9646
• a: 7.93 ± 0.0003 Å
• b: 9.812 ± 0.004 Å
• c: 17.277 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1344.3 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.082
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections: 1.544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.653
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No