Information card for entry 7151609

Structure parameters

• Formula: C22 H25 N O2 Se
• Calculated formula: C22 H25 N O2 Se
• Title of publication: Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.
• Authors of publication: Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1315 - 1329
• a: 5.2672 ± 0.0014 Å
• b: 12.0311 ± 0.0014 Å
• c: 17.196 ± 0.002 Å
• α: 104.049 ± 0.009°
• β: 98.288 ± 0.015°
• γ: 99.018 ± 0.015°
• Cell volume: 1025 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No