Information card for entry 7052193

Structure parameters

• Formula: C28 H27 N3 O4 S2
• Calculated formula: C28 H27 N3 O4 S2
• Title of publication: Trimorphism of an asymmetric disulfonamide Schiff base
• Authors of publication: Sanmartín, Jesús; Novio, Fernando; García-Deibe, Ana M.; Fondo, Matilde; Bermejo, Manuel R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 1605
• a: 9.0457 ± 0.0015 Å
• b: 18.882 ± 0.003 Å
• c: 16.057 ± 0.003 Å
• α: 90°
• β: 105.144 ± 0.003°
• γ: 90°
• Cell volume: 2647.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No