Information card for entry 7225297

Structure parameters

• Chemical name: 9-(pyrimidin-2-yl)-1-(p-tolyl)-9H-carbazole
• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• SMILES: c1ccnc(n2c3ccccc3c3c2c(ccc3)c2ccc(cc2)C)n1
• Title of publication: Ru-Catalyzed highly site-selective C-H bond arylation of 9-(pyrimidin-2-yl)-9H-carbazole
• Authors of publication: k, harsha vardhan reddy; R, Uday Kumar; V, Prakash reddy; G, Satish; Nanubolu, Jagadeesh Babu; Yadavalli, Venkata Durga Nageswar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.5942 ± 0.0006 Å
• b: 11.3101 ± 0.0007 Å
• c: 16.433 ± 0.001 Å
• α: 90°
• β: 96.693 ± 0.001°
• γ: 90°
• Cell volume: 1771.01 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No