Information card for entry 1568716

Structure parameters

• Formula: C40 H34 P2 Si
• Calculated formula: C40 H34 P2 Si
• SMILES: P(c1c2[Si]3(CCc2ccc1)CCc1cccc(P(c2ccccc2)c2ccccc2)c31)(c1ccccc1)c1ccccc1
• 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: 11.6462 ± 0.0005 Å
• b: 8.726 ± 0.0004 Å
• c: 16.7421 ± 0.0008 Å
• α: 90°
• β: 108.62 ± 0.002°
• γ: 90°
• Cell volume: 1612.35 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No