Information card for entry 2010947

Structure parameters

• Formula: C26 H32 N4 O6 S2
• Calculated formula: C26 H32 N4 O6 S2
• SMILES: s1c(nnc1S(=O)(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1)N(C(=O)OC(C)(C)C)Cc1ccccc1
• Title of publication: A novel heterocyclic sulfonamide: <i>N</i>-benzyl-5-[<i>N</i>-benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)amino]-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide
• Authors of publication: Camí, Gerardo; Server-Carrió, Juan; Fustero, Santos; Pedregosa, José
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e209 - e210
• a: 15.408 ± 0.001 Å
• b: 10.256 ± 0.001 Å
• c: 19.402 ± 0.001 Å
• α: 90°
• β: 107.91 ± 0.01°
• γ: 90°
• Cell volume: 2917.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes