Information card for entry 7223251

Structure parameters

• Formula: C38 H33 Cl2 I N4 P2
• Calculated formula: C38 H33 Cl2 I N4 P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1nccn1c1cccc(n2c([P+](c3ccccc3)(c3ccccc3)C)ncc2)c1.[I-].C(Cl)Cl
• Title of publication: Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation‒acetalization of olefins
• Authors of publication: Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1798
• a: 9.5438 ± 0.0007 Å
• b: 39.836 ± 0.003 Å
• c: 10.6814 ± 0.0011 Å
• α: 90°
• β: 116.464 ± 0.003°
• γ: 90°
• Cell volume: 3635.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No