Information card for entry 7126125

Structure parameters

• Formula: C30 H20 N2
• Calculated formula: C30 H20 N2
• SMILES: n1(c2cc(n3c4ccccc4c4ccccc34)ccc2)c2ccccc2c2ccccc12
• Title of publication: Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.
• Authors of publication: Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1665 - 1668
• a: 9.0542 ± 0.0004 Å
• b: 12.4973 ± 0.0006 Å
• c: 18.9834 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.03 ± 0.16 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No