Information card for entry 1545494

Structure parameters

• Chemical name: <i>L</i>-Glutaminium 4-methylbenzenesulfonate
• Formula: C12 H17 N O7 S
• Calculated formula: C12 H17 N O7 S
• Title of publication: <small>L</small>-Glutaminium 4-methylbenzenesulfonate
• Authors of publication: Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170162
• a: 5.454 ± 0.0003 Å
• b: 8.8013 ± 0.0005 Å
• c: 30.2297 ± 0.0018 Å
• α: 90°
• β: 92.835 ± 0.001°
• γ: 90°
• Cell volume: 1449.32 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes