Information card for entry 1515835

Structure parameters

• Formula: C24 H44 P2
• Calculated formula: C24 H44 P2
• SMILES: P(Cc1c(CP(C(C)(C)C)C(C)(C)C)cccc1)(C(C)(C)C)C(C)(C)C
• Title of publication: Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene
• Authors of publication: Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 723
• a: 9.9447 ± 0.0019 Å
• b: 11.839 ± 0.002 Å
• c: 11.991 ± 0.002 Å
• α: 117.625 ± 0.006°
• β: 92.392 ± 0.009°
• γ: 99.186 ± 0.008°
• Cell volume: 1223.9 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No