Information card for entry 4071169

Structure parameters

• Formula: C28 H57 I Si4 Sn
• Calculated formula: C28 H57 I Si4 Sn
• SMILES: I[Sn]1(C(CCCC)Cc2ccccc2)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: 20.028 ± 0.003 Å
• b: 8.9373 ± 0.0012 Å
• c: 20.512 ± 0.003 Å
• α: 90°
• β: 106.195 ± 0.003°
• γ: 90°
• Cell volume: 3525.9 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No