Information card for entry 2204138

Structure parameters

• Common name: L-valinium picrate
• Chemical name: L-valinium picrate
• Formula: C11 H14 N4 O9
• Calculated formula: C11 H14 N4 O9
• SMILES: c1c(N(=O)=O)c([O-])c(cc1N(=O)=O)N(=O)=O.O=C(O)[C@@H]([NH3+])C(C)C
• Title of publication: <small>L</small>-Valinium picrate
• Authors of publication: K. Anitha; B. Sridhar; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1530 - o1532
• a: 9.9714 ± 0.0013 Å
• b: 6.293 ± 0.0005 Å
• c: 12.648 ± 0.0009 Å
• α: 90°
• β: 110.5 ± 0.01°
• γ: 90°
• Cell volume: 743.4 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes