Information card for entry 2201872

Structure parameters

• Common name: DL-valinium perchlorate
• Chemical name: DL-valinium perchlorate
• Formula: C5 H12 Cl N O6
• Calculated formula: C5 H12 Cl N O6
• SMILES: Cl(=O)(=O)(=O)[O-].O=C(O)C([NH3+])C(C)C
• Title of publication: <small>DL</small>-Valinium perchlorate
• Authors of publication: B. Sridhar; N. Srinivasan; Bjoern Dalhus; R.K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o28 - o30
• a: 10.3005 ± 0.0006 Å
• b: 13.0905 ± 0.0008 Å
• c: 14.6105 ± 0.0009 Å
• α: 81.288 ± 0.002°
• β: 88.4473 ± 0.0019°
• γ: 75.9648 ± 0.0019°
• Cell volume: 1889.1 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes