Information card for entry 4037229

Structure parameters

• Chemical name: 3-phenyl-1-(piperidin-1-yl)octahydroindolizine
• Formula: C19 H28 N2
• Calculated formula: C19 H28 N2
• SMILES: N1(CCCCC1)[C@@H]1[C@H]2N([C@H](c3ccccc3)C1)CCCC2.N1(CCCCC1)[C@H]1[C@@H]2N([C@@H](c3ccccc3)C1)CCCC2
• Title of publication: Synthesis of Aminoindolizidines through the Chemoselective and Diastereoselective Catalytic Hydrogenation of Indolizines.
• Authors of publication: Albaladejo, María José; González-Soria, María José; Alonso, Francisco
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 20
• Pages of publication: 9707 - 9717
• a: 8.307 ± 0.005 Å
• b: 10.097 ± 0.006 Å
• c: 11.253 ± 0.007 Å
• α: 74.012 ± 0.014°
• β: 77.182 ± 0.013°
• γ: 70.798 ± 0.014°
• Cell volume: 847.9 ± 0.9 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No