Information card for entry 2210042

Structure parameters

• Chemical name: Dicyclohexylammonium 4-nitrophenylsulfinate
• Formula: C18 H28 N2 O4 S
• Calculated formula: C18 H28 N2 O4 S
• Title of publication: Dicyclohexylammonium 4-nitrophenylsulfinate
• Authors of publication: Brito, Iván; López-Rodríguez, Matías; Cárdenas, Alejandro; Reyes, Andrea
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4017 - o4019
• a: 13.185 ± 0.007 Å
• b: 11.407 ± 0.005 Å
• c: 16.055 ± 0.009 Å
• α: 90°
• β: 122.906 ± 0.005°
• γ: 90°
• Cell volume: 2027.3 ± 1.8 ų
• Cell temperature: 298 ± 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 significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes