Information card for entry 7116759

Structure parameters

• Chemical name: (R)-dibenzyl 1-(1-oxo-1-(((prop-2-yn-1-yloxy)carbonyl)amino)propan-2-yl) hydrazine-1,2-dicarboxylate
• Formula: C23 H23 N3 O7
• Calculated formula: C23 H23 N3 O7
• SMILES: O=C(NC(=O)OCC#C)[C@H](N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C
• Title of publication: Catalytic, highly enantioselective, direct amination of enecarbamates
• Authors of publication: Audrey Dumoulin; Claudia Lalli; Pascal Retailleau; Geraldine Masson
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5383
• a: 8.223 ± 0.001 Å
• b: 20.352 ± 0.002 Å
• c: 14.3 ± 0.002 Å
• α: 90°
• β: 105.02 ± 0.007°
• γ: 90°
• Cell volume: 2311.4 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No