Information card for entry 1553032

Structure parameters

• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• Title of publication: Generation of 1-amino-isoquinoline-N-oxides via a tandem reaction of 2-alkynylbenzaldoxime with secondary amines in the presence of silver(i) and copper(i)
• Authors of publication: Song, Junjie; Fan, Congbin; Liu, Gang; Qiu, Guanyinsheng
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1045
• a: 11.245 ± 0.006 Å
• b: 22.954 ± 0.012 Å
• c: 26.071 ± 0.013 Å
• α: 90°
• β: 100.618 ± 0.008°
• γ: 90°
• Cell volume: 6614 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1339
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No