Information card for entry 2216962

Structure parameters

• Chemical name: N-[(S)-1-(3,5-Dimethyl-2-hydroxyphenyl)ethyl]-N-[(R)-2-hydroxy-1- phenylethyl]ammonium chloride
• Formula: C18 H24 Cl N O2
• Calculated formula: C18 H24 Cl N O2
• SMILES: c1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(C)cc(C)c1O.[Cl-]
• Title of publication: <i>N</i>-[(<i>S</i>)-1-(3,5-Dimethyl-2-hydroxyphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-2-hydroxy-1-phenylethyl]ammonium chloride
• Authors of publication: Zhang, Guangyou; Gu, Xungang; Wang, Xiangbo; Wang, Wanhui; Li, Shuchun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o240 - o241
• a: 7.65 ± 0.0015 Å
• b: 13.764 ± 0.003 Å
• c: 16.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes