Information card for entry 2201716

Structure parameters

• Formula: C15 H18 N4 O10 S2
• Calculated formula: C15 H18 N4 O10 S2
• Title of publication: 2-Hydroxy-3-(<i>p</i>-nitrobenzenesulfonylamino)propylammonium <i>p</i>-nitrobenzenesulfonate
• Authors of publication: Chan, Kannie Wai Yan; Wong, Wing Tak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1048 - o1050
• a: 6.712 ± 0.0008 Å
• b: 31.392 ± 0.001 Å
• c: 9.826 ± 0.0009 Å
• α: 90°
• β: 103.17 ± 0.005°
• γ: 90°
• Cell volume: 2015.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No