Information card for entry 2203223

Structure parameters

• Formula: C11 H15 N O5
• Calculated formula: C11 H15 N O5
• Title of publication: (<i>S</i>)-Alanine‒(<i>S</i>)-mandelic acid (1/1)
• Authors of publication: Zi-Qiang Hu; Duan-Jun Xu; Yuan-Zhi Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o269 - o271
• a: 17.795 ± 0.004 Å
• b: 5.394 ± 0.002 Å
• c: 12.431 ± 0.002 Å
• α: 90°
• β: 100.65 ± 0.01°
• γ: 90°
• Cell volume: 1172.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes