Information card for entry 2017984

Structure parameters

• Common name: DL-alaninium semi-oxalate hydrate
• Chemical name: DL-Alaninium semioxalate monohydrate
• Formula: C5 H11 N O7
• Calculated formula: C5 H11 N O7
• SMILES: OC(=O)C(=O)[O-].O=C(O)C([NH3+])C.O
• Title of publication: <small>DL</small>-Alaninium semi-oxalate monohydrate
• Authors of publication: Zakharov, Boris A.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o47 - o51
• a: 12.4987 ± 0.0019 Å
• b: 6.6017 ± 0.0006 Å
• c: 11.3732 ± 0.0018 Å
• α: 90°
• β: 113.585 ± 0.012°
• γ: 90°
• Cell volume: 860 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes