Information card for entry 2206918

Structure parameters

• Chemical name: 5-N-n-propyl-2-(2'-nitro benzenesulphonyl)glutamine
• Formula: C14 H19 N3 O7 S
• Calculated formula: C14 H19 N3 O7 S
• SMILES: S(=O)(=O)(N[C@H](C(=O)O)CCC(=O)NCCC)c1c(N(=O)=O)cccc1
• Title of publication: <i>N</i>^2^-(2-Nitrophenylsulfonyl)-<i>N</i>^5^-<i>n</i>-propylglutamine
• Authors of publication: Xiao, Yong-Jun; Wang, Jian-Guo; Li, Zheng-Ming; Song, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3461 - o3463
• a: 6.9215 ± 0.0013 Å
• b: 7.7539 ± 0.0016 Å
• c: 15.797 ± 0.003 Å
• α: 90°
• β: 91.858 ± 0.003°
• γ: 90°
• Cell volume: 847.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes