Information card for entry 2224387

Structure parameters

• Chemical name: <i>N</i>-(Phenylsulfonyl)-L-asparagine
• Formula: C10 H12 N2 O5 S
• Calculated formula: C10 H12 N2 O5 S
• SMILES: c1(ccccc1)S(=O)(=O)N[C@H](C(=O)O)CC(=O)N
• Title of publication: <i>N</i>-(Phenylsulfonyl)-<small>L</small>-asparagine
• Authors of publication: Arshad, Muhammad Nadeem; Mubashar-ur-Rehman, Hafiz; Khan, Islam Ullah; Shafiq, Muhammad; Lo, Kong Mun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3229
• a: 10.5479 ± 0.0006 Å
• b: 5.1587 ± 0.0003 Å
• c: 11.0157 ± 0.0007 Å
• α: 90°
• β: 92.011 ± 0.003°
• γ: 90°
• Cell volume: 599.03 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes