Information card for entry 7158356

Structure parameters

• Formula: C22 H25 Cl2 N O6
• Calculated formula: C22 H25 Cl2 N O6
• Title of publication: Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.
• Authors of publication: Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 44
• Pages of publication: 9773 - 9784
• a: 13.0854 ± 0.0003 Å
• b: 7.50448 ± 0.00014 Å
• c: 22.3639 ± 0.0005 Å
• α: 90°
• β: 92.532 ± 0.002°
• γ: 90°
• Cell volume: 2193.97 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.033
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No