Information card for entry 2204261

Structure parameters

• Chemical name: Bis(tetradecylammonium) 7-hydroxy-8-phenyldiazenyl-7,8-dihydronaphthalene-1,3-disulfonate 1.8-hydrate
• Formula: C50 H89.6 N4 O8.8 S2
• Calculated formula: C50 H89.606 N4 O8.803 S2
• Title of publication: Bis[trimethyl(tetradecyl)ammonium] 7-hydroxy-8-phenyldiazenyl-7,8-dihydronaphthalene-1,3-disulfonate 1.8-hydrate: ionic self-assembly
• Authors of publication: Faul, Charl F. J.; Antonietti, Markus; Massa, Werner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1769 - o1772
• a: 8.2811 ± 0.0014 Å
• b: 13.071 ± 0.002 Å
• c: 25.204 ± 0.004 Å
• α: 85.82 ± 0.01°
• β: 87.96 ± 0.01°
• γ: 82.54 ± 0.01°
• Cell volume: 2696.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.195
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No