Information card for entry 2220390

Structure parameters

• Chemical name: 9-Ethyl-3-(imidazo[1,2-<i>a</i>]pyrimidin-3-yl)-9<i>H</i>-carbazole
• Formula: C20 H16 N4
• Calculated formula: C20 H16 N4
• SMILES: n1(c2ccccc2c2cc(ccc12)c1n2c(nc1)nccc2)CC
• Title of publication: 9-Ethyl-3-(imidazo[1,2-<i>a</i>]pyrimidin-3-yl)-9<i>H</i>-carbazole
• Authors of publication: Huang, Ping-Hsin; Chen, Guan-Ji; Wen, Yuh-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2407
• a: 13.9106 ± 0.0003 Å
• b: 9.3187 ± 0.0002 Å
• c: 12.9047 ± 0.0003 Å
• α: 90°
• β: 112.712 ± 0.001°
• γ: 90°
• Cell volume: 1543.1 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0423
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes