Information card for entry 1513441

Structure parameters

• Formula: C20 H29 N3 O2
• Calculated formula: C20 H29 N3 O2
• SMILES: N1=NC[C@H]2[C@@]1([C@H](N(CC2)[C@H](C)c1ccccc1)C)C(=O)OC(C)(C)C
• Title of publication: Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.
• Authors of publication: Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1088 - 1091
• a: 10.1265 ± 0.0002 Å
• b: 10.6178 ± 0.0002 Å
• c: 18.064 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942.26 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No