Information card for entry 7011141

Structure parameters

• Common name: [P3C3tBu3Si(tBuNCHCHNtBu)]
• Formula: C25 H47 N2 P3 Si
• Calculated formula: C25 H47 N2 P3 Si
• SMILES: P1C2(P=C(P([Si]32N(C=CN3C(C)(C)C)C(C)(C)C)C=1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: [1 + 4]-Cycloadditions of silylenes to 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene
• Authors of publication: Scott B. Clendenning; Barbara Gehrhus; Peter B. Hitchcock; Daniel F. Moser; John F. Nixon; Robert West
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 484 - 490
• a: 11.0847 ± 0.0004 Å
• b: 17.7623 ± 0.0005 Å
• c: 14.735 ± 0.0004 Å
• α: 90°
• β: 101.718 ± 0.002°
• γ: 90°
• Cell volume: 2840.71 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No