Information card for entry 7123587

Structure parameters

• Formula: C25 H25 N O3 S
• Calculated formula: C25 H25 N O3 S
• Title of publication: Chemo-, Regio-, and Enantioselective Synthesis of Allylic Nitrones via Rhodium-Catalyzed Addition of Oximes to Allenes
• Authors of publication: Breit, Bernhard; Wang, Yu-Hsuan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.244 ± 0.003 Å
• b: 8.741 ± 0.004 Å
• c: 15.818 ± 0.006 Å
• α: 90°
• β: 104.992 ± 0.013°
• γ: 90°
• Cell volume: 1101.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No