Information card for entry 2229210

Structure parameters

• Chemical name: 3-[Bis(<i>p</i>-tolylsulfonyl)amino]-<i>N</i>-(4-chlorobenzyl)-6-(3,4- dichlorophenyl)thieno[2,3-<i>b</i>]pyridine-2-carboxamide
• Formula: C35 H26 Cl3 N3 O5 S3
• Calculated formula: C35 H26 Cl3 N3 O5 S3
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(S(=O)(=O)c1ccc(cc1)C)c1c(sc2c1ccc(n2)c1ccc(c(c1)Cl)Cl)C(=O)NCc1ccc(cc1)Cl
• Title of publication: 3-[Bis(<i>p</i>-tolylsulfonyl)amino]-<i>N</i>-(4-chlorobenzyl)-6-(3,4-dichlorophenyl)thieno[2,3-<i>b</i>]pyridine-2-carboxamide
• Authors of publication: He, Hai-Yun; Li, Hong-Ze; Yang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o499
• a: 25.8238 ± 0.0008 Å
• b: 9.1634 ± 0.0002 Å
• c: 14.8366 ± 0.0005 Å
• α: 90°
• β: 102.314 ± 0.003°
• γ: 90°
• Cell volume: 3430.07 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes