Information card for entry 7110746

Structure parameters

• Formula: C31 H53 N2 P3 Si
• Calculated formula: C31 H53 N2 P3 Si
• SMILES: [Si]12(P3C(=PC2(P=C3C(C)(C)C)C(C)(C)C)C(C)(C)C)N(c2c(N1CC(C)(C)C)cccc2)CC(C)(C)C
• Title of publication: [1 + 4]-Cycloaddition of a stable silylene to 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene
• Authors of publication: Clendenning, Scott B.; Gehrhus, Barbara; Hitchcock, Peter B.; Nixon, John F.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2451
• a: 11.0632 ± 0.0018 Å
• b: 11.09 ± 0.005 Å
• c: 15.682 ± 0.007 Å
• α: 77.81 ± 0.04°
• β: 76.87 ± 0.03°
• γ: 62.15 ± 0.03°
• Cell volume: 1644.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No