Information card for entry 2010571

Structure parameters

• Chemical name: 2-nitro-N,N-bis(2-nitrophenylthio)benzenesulfonamide
• Formula: C18 H12 N4 O8 S3
• Calculated formula: C18 H12 N4 O8 S3
• Title of publication: 2-Nitro-<i>N,N</i>-bis(2-nitrophenylthio)benzenesulfonamide
• Authors of publication: Oguz, Umut; McLaughlin, Mark L.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e27 - e28
• a: 7.67 ± 0.003 Å
• b: 19.766 ± 0.005 Å
• c: 13.759 ± 0.003 Å
• α: 90°
• β: 90.63 ± 0.03°
• γ: 90°
• Cell volume: 2085.8 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.062
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections: 1.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.483
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes