Information card for entry 7155942

Structure parameters

• Formula: C24 H22 N2 O2
• Calculated formula: C24 H22 N2 O2
• Title of publication: Stereoselective annulation between an allene, an alkene, and two nitrosoarenes to access bis(isoxazoliodine) derivatives
• Authors of publication: Liu, Rai-Shung; Sharma, Pankaj; Jadhav, Prakash Daulat; Skaria, Manisha
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 13.7372 ± 0.001 Å
• b: 7.3706 ± 0.0005 Å
• c: 19.7024 ± 0.0014 Å
• α: 90°
• β: 106.653 ± 0.004°
• γ: 90°
• Cell volume: 1911.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1143
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No