Information card for entry 2243139

Structure parameters

• Chemical name: 2-[(2',6'-Dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9<i>H</i>-carbazole
• Formula: C29 H22 N4 O3
• Calculated formula: C29 H22 N4 O3
• SMILES: O(c1ccc2c3c(n(c4ncccc4)c2c1)cccc3)c1nc(ccc1)c1c(OC)nc(OC)cc1
• Title of publication: Crystal structure and luminescence properties of 2-[(2',6'-dimethoxy-2,3'-bipyridin-6-yl)oxy]-9-(pyridin-2-yl)-9<i>H</i>-carbazole
• Authors of publication: Moon, Suk-Hee; Park, Ki-Min; Kim, Jinho; Kang, Youngjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1646 - 1649
• a: 9.6979 ± 0.0001 Å
• b: 23.6702 ± 0.0003 Å
• c: 9.9229 ± 0.0002 Å
• α: 90°
• β: 92.9125 ± 0.0005°
• γ: 90°
• Cell volume: 2274.87 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes