Information card for entry 2014646

Structure parameters

• Common name: (+)-N-tosyl-L-glutamic acid
• Chemical name: (+)-N-[(4-methylphenyl)sulfonyl]-L-glutamic acid
• Formula: C12 H15 N O6 S
• Calculated formula: C12 H15 N O6 S
• Title of publication: The hydrogen-bonding network in (+)-<i>N</i>-tosyl-<small>L</small>-glutamic acid
• Authors of publication: Zachara, Janusz; Madura, Izabela; Hajmowicz, Halina; Synoradzki, Ludwik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o181 - o184
• a: 9.2411 ± 0.0009 Å
• b: 16.934 ± 0.002 Å
• c: 17.9235 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2804.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes