Information card for entry 4072502

Structure parameters

• Formula: C26 H26 Si
• Calculated formula: C26 H26 Si
• SMILES: [Si]1([C@H]2[C@@H]3CC[C@H]([C@H]2c2ccccc2C1)C3)(c1ccccc1)c1ccccc1.[Si]1([C@@H]2[C@H]3CC[C@@H]([C@@H]2c2ccccc2C1)C3)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of 4:5-Benzo-1-cobalta-2-silacyclopentenes and their Reactions with Alkynes and Alkenes: An Expedient Route to Silicon-Containing Polycyclic Frameworks
• Authors of publication: Agenet, Nicolas; Mirebeau, Jean-Hugues; Petit, Marc; Thouvenot, René; Gandon, Vincent; Malacria, Max; Aubert, Corinne
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 819
• a: 9.6526 ± 0.0004 Å
• b: 10.6303 ± 0.0008 Å
• c: 11.3573 ± 0.0007 Å
• α: 100.878 ± 0.005°
• β: 96.738 ± 0.005°
• γ: 113.755 ± 0.004°
• Cell volume: 1022.95 ± 0.12 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No