Information card for entry 7121329

Structure parameters

• Formula: C19 H21 F N2 O3 S
• Calculated formula: C19 H21 F N2 O3 S
• Title of publication: Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.
• Authors of publication: Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 2882 - 2885
• a: 11.4001 ± 0.0018 Å
• b: 12.5665 ± 0.0019 Å
• c: 14.19 ± 0.002 Å
• α: 76.975 ± 0.002°
• β: 89.282 ± 0.002°
• γ: 79.014 ± 0.002°
• Cell volume: 1943.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No