Information card for entry 2218738

Structure parameters

• Chemical name: [(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>R</i>)-3-Hydroxy-4,7,7- trimethylbicyclo[2.2.1]hept-2-yl]methyl[(E)-3-(trimethylsilyl)prop-2- enyl]selenonium bromide
• Formula: C17 H33 Br O Se Si
• Calculated formula: C17 H33 Br O Se Si
• SMILES: [Br-].O[C@@H]1[C@@H]([C@H]2C(C)(C)[C@@]1(CC2)C)[Se+](C)C/C=C/[Si](C)(C)C
• Title of publication: [(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>R</i>)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]methyl[(<i>E</i>)-3-(trimethylsilyl)prop-2-enyl]selenonium bromide
• Authors of publication: Wang, Hai-Yang; Zhang, Qiang; Li, Yi-Zhi; Gui, Yuan; Huang, Zhi-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1245
• a: 7.555 ± 0.002 Å
• b: 10.023 ± 0.002 Å
• c: 14.423 ± 0.003 Å
• α: 90°
• β: 101.29 ± 0.03°
• γ: 90°
• Cell volume: 1071 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes