Information card for entry 4026131

Structure parameters

• Formula: C24 H34 Cl2 O4 P2 Pd
• Calculated formula: C24 H34 Cl2 O4 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@@]2(CCOCCOCCOCCOCC[P@]1(c1ccccc1)CC2)c1ccccc1
• Title of publication: Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes
• Authors of publication: Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1795 - 1803
• a: 9.2921 ± 0.0016 Å
• b: 14.879 ± 0.002 Å
• c: 18.8246 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2602.6 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No