Information card for entry 2229294

Structure parameters

• Common name: [(Dibenzo[<i>b</i>,<i>d</i>]thiophen-4-yl)tellanyl]methanethiol
• Chemical name: {8-thiatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,5,10,12-hexaen-6- yltellanyl}methanethiol
• Formula: C13 H10 S2 Te
• Calculated formula: C13 H10 S2 Te
• SMILES: [Te](c1c2sc3ccccc3c2ccc1)CS
• Title of publication: [(Dibenzo[<i>b</i>,<i>d</i>]thiophen-4-yl)tellanyl]methanethiol
• Authors of publication: Liang, Zuo-Qin; Tao, Xu-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o519
• a: 5.49518 ± 0.00012 Å
• b: 12.1422 ± 0.0003 Å
• c: 19.0529 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.28 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes