Information card for entry 2202459

Structure parameters

• Common name: phenylalaninium trichloroacetate
• Chemical name: L-Phenylalaninium trichloroacetate
• Formula: C22 H26 Cl6 N2 O9
• Calculated formula: C22 H26 Cl6 N2 O9
• Title of publication: <small>L</small>-Phenylalaninium trichloroacetate hemihydrate
• Authors of publication: K. Rajagopal; R. V. Krishnakumar; M. Subha Nandhini; T. S. Cameron; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1084 - o1086
• a: 19.675 ± 0.003 Å
• b: 6.115 ± 0.001 Å
• c: 26.584 ± 0.002 Å
• α: 90°
• β: 109.6 ± 0.1°
• γ: 90°
• Cell volume: 3013 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes