Information card for entry 2021168

Structure parameters

• Chemical name: Bis{(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate
• Formula: C15 H24 N O4
• Calculated formula: C15 H24 N O4
• Title of publication: Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives
• Authors of publication: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• a: 11.5982 ± 0.0003 Å
• b: 8.8651 ± 0.0002 Å
• c: 15.2964 ± 0.0003 Å
• α: 90°
• β: 103.581 ± 0.002°
• γ: 90°
• Cell volume: 1528.79 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes