Information card for entry 1506727

Structure parameters

• Formula: C22 H22 O Sn
• Calculated formula: C22 H22 O Sn
• SMILES: [Sn](C(=C\C)/CO)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.
• Authors of publication: Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5377 - 5380
• a: 7.418 ± 0.0007 Å
• b: 15.6288 ± 0.0015 Å
• c: 32.908 ± 0.003 Å
• α: 90°
• β: 95.08 ± 0.002°
• γ: 90°
• Cell volume: 3800.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No