Information card for entry 2018980

Structure parameters

• Common name: <i>L</i>-Serinium semi-maleate
• Chemical name: <i>L</i>-Serinium semi-maleate
• Formula: C7 H11 N O7
• Calculated formula: C7 H11 N O7
• SMILES: C(=O)(O)[C@@H]([NH3+])CO.C(=O)([O-])/C=C\C(=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: 6.9527 ± 0.0011 Å
• b: 6.5631 ± 0.001 Å
• c: 10.4284 ± 0.0019 Å
• α: 90°
• β: 97.094 ± 0.014°
• γ: 90°
• Cell volume: 472.22 ± 0.14 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes