Information card for entry 2203895

Structure parameters

• Common name: DL-histidine DL-tartrate
• Formula: C10 H15 N3 O8
• Calculated formula: C10 H15 N3 O8
• SMILES: c1(c[nH]c[nH+]1)C[C@@H](C(=O)[O-])[NH3+].C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.c1(c[nH]c[nH+]1)C[C@H](C(=O)[O-])[NH3+].C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O
• Title of publication: <small>DL</small>-Histidine <small>DL</small>-tartrate
• Authors of publication: Johnson, M. N.; Feeder, N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1273 - o1274
• a: 4.9695 ± 0.0005 Å
• b: 13.4392 ± 0.0012 Å
• c: 19.2749 ± 0.0018 Å
• α: 90°
• β: 90.253 ± 0.002°
• γ: 90°
• Cell volume: 1287.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes