Information card for entry 2201882

Structure parameters

• Common name: Prolinium trichloroacetate
• Chemical name: L-prolinium trichloroacetate
• Formula: C7 H10 Cl3 N O4
• Calculated formula: C7 H10 Cl3 N O4
• SMILES: ClC(Cl)(Cl)C(=O)[O-].[NH2+]1[C@H](C(=O)O)CCC1
• Title of publication: <small>L</small>-Prolinium trichloroacetate at 105K
• Authors of publication: K. Rajagopal; R. V. Krishnakumar; A. Mostad; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o277 - o279
• a: 9.7541 ± 0.0014 Å
• b: 9.7541 ± 0.0014 Å
• c: 10.089 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 831.3 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes