Information card for entry 4065395

Structure parameters

• Formula: C17 H17 Br O Se
• Calculated formula: C17 H17 Br O Se
• SMILES: Brc1c(c(c(C(=O)[Se]c2ccccc2)c(c1C)C)C)C
• Title of publication: Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters
• Authors of publication: Taher, Deeb; Corrigan, John F.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5943
• a: 12.0338 ± 0.0008 Å
• b: 5.8357 ± 0.0003 Å
• c: 22.778 ± 0.002 Å
• α: 90°
• β: 98.951 ± 0.003°
• γ: 90°
• Cell volume: 1580.12 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1507
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No