Information card for entry 7011140

Structure parameters

• Formula: C35 H71 N4 P3 Si2
• Calculated formula: C35 H71 N4 P3 Si2
• SMILES: P12[Si]3([Si]4(N(CCN4C(C)(C)C)C(C)(C)C)N(CCN3C(C)(C)C)C(C)(C)C)C(P=C1C(C)(C)C)(P=C2C(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: 10.3052 ± 0.0003 Å
• b: 17.757 ± 0.0003 Å
• c: 21.9827 ± 0.0007 Å
• α: 90°
• β: 94.84 ± 0.001°
• γ: 90°
• Cell volume: 4008.26 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No