Information card for entry 2200644

Structure parameters

• Chemical name: DL-valinium maleate
• Formula: C9 H15 N O6
• Calculated formula: C9 H15 N O6
• SMILES: OC(=O)C([NH3+])C(C)C.OC(=O)/C=C/C(=O)[O-]
• Title of publication: <small>DL</small>-Valinium maleate at 150K
• Authors of publication: M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1102 - o1104
• a: 6.183 ± 0.0012 Å
• b: 9.648 ± 0.0019 Å
• c: 10.534 ± 0.002 Å
• α: 104.92 ± 0.03°
• β: 106.32 ± 0.03°
• γ: 104.4 ± 0.03°
• Cell volume: 546.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No