Information card for entry 2208763

Structure parameters

• Chemical name: 2,8-Bis(diphenylamino)-5H-5λ^6^-dibenzothiophene 5,5-dioxide
• Formula: C36 H26 N2 O2 S
• Calculated formula: C36 H26 N2 O2 S
• SMILES: S1(=O)(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc12
• Title of publication: 2,8-Bis(diphenylamino)-5<i>H</i>-5λ^6^-dibenzo[<i>b</i>,<i>d</i>]thiophene 5,5-dioxide
• Authors of publication: Huang, Ping-Hsin; Huang, Tai-Hsiang; Shen, Jiun-Yi; Wen, Yuh-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1317 - o1318
• a: 9.8988 ± 0.0002 Å
• b: 19.3898 ± 0.0004 Å
• c: 14.4606 ± 0.0003 Å
• α: 90°
• β: 93.866 ± 0.001°
• γ: 90°
• Cell volume: 2769.19 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes