Information card for entry 1506728

Structure parameters

• Formula: C27 H28 O Sn
• Calculated formula: C27 H28 O Sn
• SMILES: [Sn](/C(=C\C1=CCCCC1)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: 15.4757 ± 0.0009 Å
• b: 40.118 ± 0.002 Å
• c: 7.287 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4524.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No