Information card for entry 4071172

Structure parameters

• Formula: C22 H49 Br Si4 Sn
• Calculated formula: C22 H49 Br Si4 Sn
• SMILES: Br[Sn]1(C2C=CCCC2)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry
• Authors of publication: Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1041
• a: 8.6851 ± 0.0009 Å
• b: 11.7882 ± 0.0012 Å
• c: 29.04 ± 0.003 Å
• α: 90°
• β: 92.076 ± 0.002°
• γ: 90°
• Cell volume: 2971.2 ± 0.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No