Information card for entry 1512596

Structure parameters

• Formula: C11 H14 Br2 O Te
• Calculated formula: C11 H14 Br2 O Te
• SMILES: [Te](Br)(Br)(CC1OCCC1)c1ccccc1
• Title of publication: Visible-light-promoted selenofunctionalization of alkenes.
• Authors of publication: Conner, Elizabeth S.; Crocker, Katherine E.; Fernando, Ranelka G.; Fronczek, Frank R.; Stanley, George G.; Ragains, Justin R.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 5558 - 5561
• a: 11.1874 ± 0.0015 Å
• b: 14.775 ± 0.002 Å
• c: 8.1374 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1345.1 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.467
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No