Information card for entry 1559951

Structure parameters

• Common name: 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol Mandelate
• Formula: C29 H35 N O4
• Calculated formula: C29 N O4
• SMILES: OC(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+]1CCCCC1.O=C([O-])[C@@H](O)c1ccccc1
• Title of publication: Anticholinergic Agents. 2. Absolute Configurations of 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol and 2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol. Crystal Structures of the Corresponding Mandelates
• Authors of publication: Sjo, Peter; Groth, Per; Aasen, Arne Jorgen
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1990
• Journal volume: 44
• Pages of publication: 957 - 962
• a: 9.951 ± 0.002 Å
• b: 14.645 ± 0.002 Å
• c: 17.163 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2501.2 ± 0.7 ų
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No