Information card for entry 7006369

Structure parameters

• Formula: C50 H66 O P2
• Calculated formula: C50 H66 O P2
• SMILES: c1(c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)/P=C/c1c2c(c3c(c(/C=P/c4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc3)o2)ccc1
• Title of publication: 4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.
• Authors of publication: Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 4
• Pages of publication: 594 - 602
• a: 15.966 ± 0.001 Å
• b: 10.407 ± 0.001 Å
• c: 14.099 ± 0.001 Å
• α: 90°
• β: 105.26 ± 0.001°
• γ: 90°
• Cell volume: 2260.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No