Information card for entry 7123711

Structure parameters

• Formula: C24 H18 N2
• Calculated formula: C24 H18 N2
• Title of publication: Harnessing the Reactivity of ortho-Formyl-arylketones: Base-Promoted Regiospecific Synthesis of Functionalized Isoquinolines
• Authors of publication: Mishra, Pawan K.; Verma, Shalini; Kumar, Manoj; Kumar, Ankit; Verma, Akhilesh K.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.304 ± 0.006 Å
• b: 12.635 ± 0.006 Å
• c: 14.949 ± 0.007 Å
• α: 90°
• β: 99.29 ± 0.04°
• γ: 90°
• Cell volume: 1734.3 ± 1.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 3
• 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: 0.1475
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No