Information card for entry 2204154

Structure parameters

• Common name: (R)-histidinium (2R, 3R)-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-]
• Title of publication: (<i>R</i>)-Histidinium (2<i>R</i>,3<i>R</i>)-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: 9
• Pages of publication: o1476 - o1477
• a: 5.3712 ± 0.0018 Å
• b: 7.637 ± 0.003 Å
• c: 8.46 ± 0.003 Å
• α: 72.025 ± 0.005°
• β: 73.872 ± 0.005°
• γ: 81.144 ± 0.005°
• Cell volume: 316.2 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No