Information card for entry 2211190

Structure parameters

• Chemical name: Benzyl 2-(2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate
• Formula: C18 H19 N3 O3
• Calculated formula: C18 H19 N3 O3
• SMILES: O(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ncccc1
• Title of publication: (<i>S</i>)-Benzyl 2-(2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate
• Authors of publication: Long He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5070 - o5071
• a: 8.9479 ± 0.0018 Å
• b: 11.096 ± 0.002 Å
• c: 17.035 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1691.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes