Information card for entry 2241536

Structure parameters

• Chemical name: Chlorido(2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one-κ<i>O</i>)triphenyltin
• Formula: C34 H30 Cl N O S Sn
• Calculated formula: C34 H30 Cl N O S Sn
• SMILES: C1(c2ccccc2)N(C(=[O][Sn](c2ccccc2)(c2ccccc2)(c2ccccc2)Cl)CCS1)c1ccccc1
• Title of publication: Crystal structure of the 1:1 adduct of 2,3-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one with triphenyltin chloride
• Authors of publication: Yennawar, Hemant P.; Fox, Ryan; Silverberg, Lee J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 276 - 279
• a: 10.8454 ± 0.0019 Å
• b: 9.5675 ± 0.0016 Å
• c: 28.891 ± 0.005 Å
• α: 90°
• β: 92.886 ± 0.003°
• γ: 90°
• Cell volume: 2994 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes