Information card for entry 2022167

Structure parameters

• Chemical name: (<i>R</i>,<i>S</i>)-2-Amino-<i>N</i>-[2-(2,3-dimethylphenoxy)ethyl]propan-1-ol
• Formula: C13 H21 N O2
• Calculated formula: C13 H21 N O2
• Title of publication: The conformational analyses of 2-amino-<i>N</i>-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments
• Authors of publication: Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Żesławska, Ewa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• a: 7.2657 ± 0.0001 Å
• b: 14.4917 ± 0.0002 Å
• c: 24.6836 ± 0.0003 Å
• α: 90°
• β: 90.042 ± 0.001°
• γ: 90°
• Cell volume: 2598.99 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes