Information card for entry 4107596

Structure parameters

• Common name: Tip3Me2-Chlorocyclotrisilan
• Chemical name: rac-1-Chloro-1,2,2-tris(2,4,6-triisopropylpheny)-3,3-methyl- cyclotrisilan
• Formula: C47 H75 Cl Si3
• Calculated formula: C47 H75 Cl Si3
• SMILES: [Si]1([Si]([Si]1(C)C)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(Cl)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane
• Authors of publication: Kai Abersfelder; David Scheschkewitz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4114 - 4121
• a: 14.135 ± 0.001 Å
• b: 17.7858 ± 0.0013 Å
• c: 20.6446 ± 0.0015 Å
• α: 69.997 ± 0.001°
• β: 75.569 ± 0.001°
• γ: 89.749 ± 0.002°
• Cell volume: 4704.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No