Information card for entry 2241122

Structure parameters

• Chemical name: 2-[5-(Dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate
• Formula: C30 H29 N3 O5 S2
• Calculated formula: C30 H29 N3 O5 S2
• Title of publication: The crystal structure of 2-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate
• Authors of publication: Chainok, Kittipong; Duangthongyou, Tanwawan; Tuntulani, Thawatchai; Chuenka, Apinya; Wannalerse, Boontana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o721 - o722
• a: 12.7594 ± 0.0013 Å
• b: 13.3481 ± 0.0014 Å
• c: 16.4331 ± 0.0017 Å
• α: 90°
• β: 98.349 ± 0.004°
• γ: 90°
• Cell volume: 2769.1 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No