Information card for entry 1553223

Structure parameters

• Chemical name: 7-(2-(diphenylphosphino)phenyl)-7H-benzo[c]carbazole
• Formula: C34 H24 N P
• Calculated formula: C34 H24 N P
• SMILES: P(c1c(n2c3ccccc3c3c4ccccc4ccc23)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: A benzo[c]carbazolyl-based phosphine ligand for Pd-catalyzed tetra-ortho-substituted biaryl syntheses
• Authors of publication: Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 273
• a: 9.9764 ± 0.0005 Å
• b: 11.8382 ± 0.0006 Å
• c: 12.5698 ± 0.0006 Å
• α: 115.716 ± 0.002°
• β: 100.125 ± 0.002°
• γ: 93.876 ± 0.002°
• Cell volume: 1299.22 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No