Information card for entry 2210566

Structure parameters

• Chemical name: 9-Butyl-3-(2,6-diphenylpyridin-4-yl)-9H-carbazole
• Formula: C33 H28 N2
• Calculated formula: C33 H28 N2
• SMILES: n1(c2ccc(cc2c2ccccc12)c1cc(nc(c1)c1ccccc1)c1ccccc1)CCCC
• Title of publication: 9-Butyl-3-(2,6-diphenylpyridin-4-yl)-9<i>H</i>-carbazole
• Authors of publication: Lu, Wie-Jie; Wang, Liang; Xu, Xian-Yun; Yang, Jia-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4497 - o4498
• a: 11.489 ± 0.003 Å
• b: 15.221 ± 0.004 Å
• c: 15.099 ± 0.004 Å
• α: 90°
• β: 111.104 ± 0.004°
• γ: 90°
• Cell volume: 2463.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes