Information card for entry 2005026

Structure parameters

• Chemical name: 2-triphenylstannyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide triphenylphosphine oxide
• Formula: C43 H34 N O4 P S Sn
• Calculated formula: C43 H34 N O4 P S Sn
• SMILES: [Sn]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(N1S(=O)(=O)c2ccccc2C1=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2-Triphenylstannyl-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-Dioxide‒Triphenylphosphine Oxide (1/1)
• Authors of publication: Ng, S. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1365 - 1367
• a: 34.086 ± 0.005 Å
• b: 10.0389 ± 0.0009 Å
• c: 23.778 ± 0.004 Å
• α: 90°
• β: 110.114 ± 0.006°
• γ: 90°
• Cell volume: 7640.3 ± 1.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.1078
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No