Information card for entry 4024764

Structure parameters

• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: N(=O)(=O)C[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)C(=O)C
• Title of publication: Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes
• Authors of publication: Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6163 - 6168
• a: 5.673 ± 0.003 Å
• b: 14.165 ± 0.008 Å
• c: 20.076 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1613.1 ± 1.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.1668
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No