Information card for entry 2232414

Structure parameters

• Chemical name: <i>N</i>-Trityl-2-(tritylsulfanyl)aniline
• Formula: C44 H35 N S
• Calculated formula: C44 H35 N S
• SMILES: S(c1ccccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-Trityl-2-(tritylsulfanyl)aniline
• Authors of publication: Neuba, Adam; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2887
• a: 8.2377 ± 0.001 Å
• b: 23.513 ± 0.003 Å
• c: 9.0894 ± 0.001 Å
• α: 90°
• β: 113.512 ± 0.003°
• γ: 90°
• Cell volume: 1614.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes