Information card for entry 2018981

Structure parameters

• Common name: <i>DL</i>-Serinium semi-maleate
• Chemical name: <i>DL</i>-Serinium semi-maleate
• Formula: C7 H11 N O7
• Calculated formula: C7 H11 N O7
• SMILES: C(=O)(O)C([NH3+])CO.C(=O)(/C=C\C(=O)O)[O-]
• Title of publication: Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry
• Authors of publication: Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 517 - 521
• a: 5.9406 ± 0.0003 Å
• b: 8.9527 ± 0.0004 Å
• c: 9.3796 ± 0.0003 Å
• α: 79.239 ± 0.003°
• β: 75.528 ± 0.003°
• γ: 86.771 ± 0.004°
• Cell volume: 474.5 ± 0.04 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes