Information card for entry 4025841

Structure parameters

• Formula: C33 H27 N P2
• Calculated formula: C33 H27 N P2
• SMILES: n1(cc(C)c2cccc(c12)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• Title of publication: Bidentate P, N-P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX
• Authors of publication: Raju Ghosh; Amitabha Sarkar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 8283 - 8286
• a: 9.4292 ± 0.001 Å
• b: 14.338 ± 0.0015 Å
• c: 19.96 ± 0.002 Å
• α: 90°
• β: 91.711 ± 0.003°
• γ: 90°
• Cell volume: 2697.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No