Information card for entry 2201992

Structure parameters

• Chemical name: 2-{[(2-Hydroxyphenyl)methyl]methylamino}-1-phenylpropan-1-ol
• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: N([C@H]([C@H](O)c1ccccc1)C)(Cc1c(O)cccc1)C
• Title of publication: 2-{[(2-Hydroxyphenyl)methyl]methylamino}-1-phenylpropan-1-ol
• Authors of publication: Yuan, Fang; Li, Yi-Zhi; Zhu, Chengjian; Pan, Yi; Xu, Lin-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o608 - o609
• a: 6.004 ± 0.001 Å
• b: 10.451 ± 0.001 Å
• c: 23.79 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes