Information card for entry 2221689

Structure parameters

• Chemical name: (2<i>R</i>)-2-Benzenesulfonamido-2-phenylethanoic acid
• Formula: C14 H13 N O4 S
• Calculated formula: C14 H13 N O4 S
• SMILES: S(=O)(=O)(N[C@@H](C(=O)O)c1ccccc1)c1ccccc1
• Title of publication: (2<i>R</i>)-2-Benzenesulfonamido-2-phenylethanoic acid
• Authors of publication: Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Ahmad, Sarfraz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o940
• a: 5.6022 ± 0.0005 Å
• b: 12.5026 ± 0.0009 Å
• c: 19.7886 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1386.03 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes