Information card for entry 4023810

Structure parameters

• Formula: C17 H28 N2 O2
• Calculated formula: C17 H28 N2 O2
• SMILES: N1([C@H]2CCCN3CCC[C@@H]23)C(=O)OC[C@@H]1C1CCCCC1
• Title of publication: Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines
• Authors of publication: Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8376 - 8381
• a: 5.9075 ± 0.0005 Å
• b: 16.5865 ± 0.0015 Å
• c: 16.6873 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No