Information card for entry 4022495

Structure parameters

• Formula: C15 H16 Br N Se
• Calculated formula: C15 H16 Br N Se
• SMILES: Brc1ccc(/C=C\C=C\C(=[Se])N2CCCC2)cc1
• Title of publication: Highly Efficient Peterson Olefination Leading to Unsaturated Selenoamides and Their Characterization
• Authors of publication: Toshiaki Murai; Akinori Fujishima; Chigusa Iwamoto; Shinzi Kato
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7979 - 7982
• a: 6.55 ± 0.001 Å
• b: 29.51 ± 0.005 Å
• c: 15.509 ± 0.003 Å
• α: 90°
• β: 99.044 ± 0.009°
• γ: 90°
• Cell volume: 2960.6 ± 0.9 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No