Information card for entry 2201457

Structure parameters

• Chemical name: Erythro-2-piperidinyl-1,2-diphenyl ethanol
• Formula: C19 H23 N O
• Calculated formula: C19 H23 N O
• SMILES: O[C@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1.O[C@@H]([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1
• Title of publication: <i>erythro</i>-2-Piperidinyl-1,2-diphenylethanol
• Authors of publication: Ocak, Nazan; Kazak, Canan; Öztürk, Sema; Zerrin, Caliskan; Arsu, Nergis; Fun, Hoong-Kun; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1119 - o1120
• a: 13.6624 ± 0.001 Å
• b: 5.6452 ± 0.001 Å
• c: 20.678 ± 0.004 Å
• α: 90°
• β: 93.46 ± 0.04°
• γ: 90°
• Cell volume: 1591.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes