Information card for entry 2220150

Structure parameters

• Chemical name: 2,5-Bis(9H-carbazol-9-yl)thiophene
• Formula: C28 H18 N2 S
• Calculated formula: C28 H18 N2 S
• SMILES: s1c(n2c3ccccc3c3ccccc23)ccc1n1c2ccccc2c2ccccc12
• Title of publication: 2,5-Bis(9<i>H</i>-carbazol-9-yl)thiophene
• Authors of publication: Jiang, Xu-Liang; Huang, Er-Fang; Rao, Guo-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2502
• a: 7.876 ± 0.0016 Å
• b: 16.098 ± 0.003 Å
• c: 33.986 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4309 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes