Information card for entry 4076006

Structure parameters

• Chemical name: 1,1,2,2-Tetramesityl-6-methoxy-5-methyl-7-phenyl-1,2-disilacyclohepta-3,4-diene
• Formula: C49 H58 O Si2
• Calculated formula: C49 H58 O Si2
• SMILES: [Si]1([Si]([C@@H]([C@H](C(=C=C1)C)OC)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Si]1([Si]([C@H]([C@@H](C(=C=C1)C)OC)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Addition of a Cyclopropyl Alkyne to Tetramesityldisilene: Evidence for a Biradical Intermediate and Formation of a Stable 1,2-Disilacyclohepta-3,4-diene
• Authors of publication: Gottschling, Stephen E.; Milnes, Kaarina K.; Jennings, Michael C.; Baines, Kim M.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3811
• a: 15.984 ± 0.0008 Å
• b: 16.6589 ± 0.0007 Å
• c: 17.1723 ± 0.0006 Å
• α: 74.628 ± 0.003°
• β: 74.146 ± 0.003°
• γ: 77.839 ± 0.002°
• Cell volume: 4193.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1903
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No