Information card for entry 2241349

Structure parameters

• Chemical name: 5,5'-Bis(dimethylamino)-<i>N</i>,<i>N</i>'-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)
• Formula: C29 H37 N5 O4 S2
• Calculated formula: C29 H37 N5 O4 S2
• Title of publication: Crystal structure of 5,5'-bis(dimethylamino)-<i>N</i>,<i>N</i>'-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)
• Authors of publication: Horne, Toyketa V.; Haque, Syed A.; Barton, Adrianne; Hossain, Md. Alamgir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o959 - o960
• a: 10.5216 ± 0.0005 Å
• b: 11.3826 ± 0.0005 Å
• c: 13.9579 ± 0.0006 Å
• α: 107.898 ± 0.0007°
• β: 90.3662 ± 0.0008°
• γ: 113.733 ± 0.0007°
• Cell volume: 1439.9 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes