Information card for entry 2216397

Structure parameters

• Chemical name: 4,4',5,5'-Tetraphenyl-2,2'-dithiodi-1,3-oxazole
• Formula: C30 H20 N2 O2 S2
• Calculated formula: C30 H20 N2 O2 S2
• SMILES: c1ccc(cc1)c1oc(nc1c1ccccc1)SSc1nc(c(o1)c1ccccc1)c1ccccc1
• Title of publication: 4,4',5,5'-Tetraphenyl-2,2'-dithiodi-1,3-oxazole
• Authors of publication: Jikun Li; Guofang He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4783 - o4783
• a: 30.6054 ± 0.00012 Å
• b: 10.1073 ± 0.0004 Å
• c: 8.1631 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525.16 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1583
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes