Information card for entry 2204020

Structure parameters

• Common name: D-histidine (2R,3R)-tartrate
• Formula: C10 H15 N3 O8
• Calculated formula: C10 H15 N3 O8
• SMILES: c1(C[C@H](C(=O)[O-])[NH3+])c[nH]c[nH+]1.C(=O)([C@H]([C@H](O)C(=O)[O-])O)O
• Title of publication: D-Histidinium (2R,3R)-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: 8
• Pages of publication: o1373 - o1374
• a: 5.0207 ± 0.0009 Å
• b: 12.109 ± 0.002 Å
• c: 20.797 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1264.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No