Information card for entry 7126124

Structure parameters

• Formula: C18 H13 N
• Calculated formula: C18 H13 N
• SMILES: n1(c2ccccc2c2ccccc12)c1ccccc1
• 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: 38.272 ± 0.003 Å
• b: 12.8163 ± 0.0008 Å
• c: 10.858 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5325.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No