Information card for entry 7152550

Structure parameters

• Common name: C31 H31 Br1 O2 Sn1
• Formula: C31 H31 Br O2 Sn
• Calculated formula: C31 H31 Br O2 Sn
• SMILES: [Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[C@@H](CC)[C@H](C)COC(=O)c1ccc(Br)cc1.[Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[C@H](CC)[C@@H](C)COC(=O)c1ccc(Br)cc1
• Title of publication: Concerning the 1,5-stereocontrol in tin(iv) chloride promoted reactions of 4- and 5-alkoxyalk-2-enylstannanes: trapping intermediate allyltin trichlorides using phenyllithium.
• Authors of publication: Hobson, Lindsay A.; Thomas, Eric J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 37
• Pages of publication: 7510 - 7526
• a: 10.39 ± 0.002 Å
• b: 17.643 ± 0.003 Å
• c: 8.429 ± 0.002 Å
• α: 92.81 ± 0.02°
• β: 113.88 ± 0.01°
• γ: 90.83 ± 0.01°
• Cell volume: 1410.2 ± 0.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0381
• Goodness-of-fit parameter for all reflections: 1.744
• Goodness-of-fit parameter for significantly intense reflections: 1.724
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No