Information card for entry 2236774

Structure parameters

• Chemical name: 3,6-Di-<i>tert</i>-butyl-9-(quinolin-6-yl)-9<i>H</i>-carbazole
• Formula: C29 H30 N2
• Calculated formula: C29 H30 N2
• SMILES: n1(c2ccc(cc2c2cc(ccc12)C(C)(C)C)C(C)(C)C)c1cc2cccnc2cc1
• Title of publication: 3,6-Di-<i>tert</i>-butyl-9-(quinolin-6-yl)-9<i>H</i>-carbazole
• Authors of publication: Chi, Yun; Wang, Lizhi; Li, Xiangxiang; Guan, Jianning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2609
• a: 5.914 ± 0.0012 Å
• b: 13.133 ± 0.003 Å
• c: 16.285 ± 0.003 Å
• α: 69.3 ± 0.03°
• β: 83.28 ± 0.03°
• γ: 79.11 ± 0.03°
• Cell volume: 1160.1 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes