Information card for entry 7109653

Structure parameters

• Formula: C42 H31 P
• Calculated formula: C42 H31 P
• SMILES: P(c1c(cc2ccccc2c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nickel-catalyzed manipulation of tertiary phosphines via highly selective C-P bond cleavage
• Authors of publication: Jian Cao; Xian Huang; Luling Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7747
• a: 10.0368 ± 0.0003 Å
• b: 30.8934 ± 0.0008 Å
• c: 10.8177 ± 0.0004 Å
• α: 90°
• β: 109.139 ± 0.004°
• γ: 90°
• Cell volume: 3168.85 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No