Information card for entry 2208053

Structure parameters

• Common name: DL-Phenylglycinium chloride
• Formula: C8 H10 Cl N O2
• Calculated formula: C8 H10 Cl N O2
• SMILES: [Cl-].O=C(O)C([NH3+])c1ccccc1
• Title of publication: <small>DL</small>-Phenylglycinium chloride
• Authors of publication: Bouacida, Sofiane; Hocine, Merazig; Patricia, Benard-Rocherulle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o838 - o840
• a: 7.303 ± 0.002 Å
• b: 11.005 ± 0.002 Å
• c: 21.447 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1723.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No