Information card for entry 2201273

Structure parameters

• Common name: DL-valinium dihydrogen phosphate
• Chemical name: DL-valinium dihydrogen phosphate
• Formula: C5 H14 N O6 P
• Calculated formula: C5 H14 N O6 P
• SMILES: P(=O)([O-])(O)O.O=C(O)C([NH3+])C(C)C
• Title of publication: <small>DL</small>-Valinium dihydrogen phosphate
• Authors of publication: Ravikumar, Bagavath Singh; Sridhar, Balasubramanian; Rajaram, Ramaswamy Karunanandam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o879 - o881
• a: 9.201 ± 0.001 Å
• b: 10.0035 ± 0.0006 Å
• c: 11.195 ± 0.002 Å
• α: 90°
• β: 113.73 ± 0.01°
• γ: 90°
• Cell volume: 943.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes