Information card for entry 2236362

Structure parameters

• Chemical name: 3-Methylamino-3-phenylpropan-1-ol
• Formula: C10 H15 N O
• Calculated formula: C10 H15 N O
• SMILES: OCCC(NC)c1ccccc1
• Title of publication: 3-Methylamino-3-phenylpropan-1-ol
• Authors of publication: Frey, Wolfgang; Ibrahim, Mohammad M.; Ali, Basem F.; Jäger, Volker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2857
• a: 5.9816 ± 0.0008 Å
• b: 23.8962 ± 0.0019 Å
• c: 7.4653 ± 0.0008 Å
• α: 90°
• β: 111.119 ± 0.007°
• γ: 90°
• Cell volume: 995.4 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1266
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes