Information card for entry 7244333

Structure parameters

• Formula: C14 H21 N O2
• Calculated formula: C14 H21 N O2
• SMILES: N1([C@H](C[C@@H](O)CC1)C)[C@@H](CO)c1ccccc1
• Title of publication: Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives
• Authors of publication: Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 4187 - 4190
• a: 7.0341 ± 0.0008 Å
• b: 14.022 ± 0.002 Å
• c: 14.321 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1412.5 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 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: 0.1343
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.681
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No