Information card for entry 7232949

Structure parameters

• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• Title of publication: Electrochemical synthesis of enaminones via a decarboxylative coupling reaction
• Authors of publication: Kong, Xianqiang; Liu, Yulong; Lin, Long; Chen, Qianjin; Xu, Bo
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 3796
• a: 11.4902 ± 0.0002 Å
• b: 9.6989 ± 0.0002 Å
• c: 15.4453 ± 0.0003 Å
• α: 90°
• β: 91.189 ± 0.001°
• γ: 90°
• Cell volume: 1720.89 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.98 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: 0.0463
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No