Information card for entry 1568717

Structure parameters

• Formula: C42 H38 Cl6 P2 Pd Si
• Calculated formula: C42 H38 Cl6 P2 Pd Si
• SMILES: [Pd]1(Cl)(Cl)[P](c2c3[Si]4(CCc3ccc2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2CC4)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.
• Authors of publication: Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4641 - 4646
• a: 9.9943 ± 0.0014 Å
• b: 20.42 ± 0.003 Å
• c: 20.447 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4172.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0251
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No