Information card for entry 2214051

Structure parameters

• Chemical name: Ethyl 2-(N-cyclohexyl-2-nitrophenylsulfonamido)-2-oxoacetate
• Formula: C16 H20 N2 O7 S
• Calculated formula: C16 H20 N2 O7 S
• SMILES: S(=O)(=O)(N(C1CCCCC1)C(=O)C(=O)OCC)c1c(N(=O)=O)cccc1
• Title of publication: Ethyl 2-(<i>N</i>-cyclohexyl-2-nitrophenylsulfonamido)-2-oxoacetate
• Authors of publication: Wang, Bao-Lei; He, Feng-Qi; Li, Zheng-Ming; Song, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3264 - o3264
• a: 10.962 ± 0.007 Å
• b: 12.352 ± 0.007 Å
• c: 13.879 ± 0.008 Å
• α: 90°
• β: 101.813 ± 0.011°
• γ: 90°
• Cell volume: 1839.5 ± 1.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes