Information card for entry 7113928

Structure parameters

• Formula: C23 H17 N O2
• Calculated formula: C23 H17 N O2
• SMILES: n1c(c(c2ccccc2c1c1ccccc1)c1ccccc1)C(=O)OC
• Title of publication: Synthesis of isoquinolines via visible light-promoted insertion of vinyl isocyanides with diaryliodonium salts
• Authors of publication: Heng Jiang; Yuanzheng Cheng; Ruzhi Wang; Yan Zhang; Shouyun Yu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6164
• a: 8.983 ± 0.0018 Å
• b: 9.792 ± 0.002 Å
• c: 11.223 ± 0.002 Å
• α: 73.14 ± 0.03°
• β: 87.6 ± 0.03°
• γ: 66.13 ± 0.03°
• Cell volume: 860.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No