Information card for entry 2219030

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Diisopropyl-3,6-dimethoxynaphthalene-2,7-disulfonamide
• Formula: C18 H26 N2 O6 S2
• Calculated formula: C18 H26 N2 O6 S2
• SMILES: S(=O)(=O)(NC(C)C)c1c(OC)cc2c(c1)cc(S(=O)(=O)NC(C)C)c(OC)c2
• Title of publication: <i>N</i>,<i>N</i>'-Diisopropyl-3,6-dimethoxynaphthalene-2,7-disulfonamide
• Authors of publication: Song, Zu-Wei; Hu, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1499
• a: 17.229 ± 0.003 Å
• b: 7.2532 ± 0.0015 Å
• c: 18.035 ± 0.004 Å
• α: 90°
• β: 108.35 ± 0.03°
• γ: 90°
• Cell volume: 2139.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes