Information card for entry 2218571

Structure parameters

• Chemical name: 9-Ethyl-3,6-bis(1<i>H</i>-imidazol-1-yl)-9<i>H</i>-carbazole
• Formula: C20 H17 N5
• Calculated formula: C20 H17 N5
• SMILES: n1(ccnc1)c1ccc2n(c3ccc(n4cncc4)cc3c2c1)CC
• Title of publication: 9-Ethyl-3,6-bis(1<i>H</i>-imidazol-1-yl)-9<i>H</i>-carbazole
• Authors of publication: Zhou, Hong Ping; Lv, Liang Fei; Wang, Peng; Hu, Ren Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1075
• a: 5.625 ± 0.002 Å
• b: 8.826 ± 0.003 Å
• c: 17.367 ± 0.006 Å
• α: 92.698 ± 0.006°
• β: 96.011 ± 0.006°
• γ: 102.567 ± 0.006°
• Cell volume: 834.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes