Information card for entry 4032579

Structure parameters

• Formula: C23 H16 Cl N O2
• Calculated formula: C23 H16 Cl N O2
• SMILES: Clc1ccc2COc3c(c2c1)c(nc1ccccc31)c1ccc(OC)cc1
• Title of publication: Cu-Catalyzed Cascade Annulation of Alkynols with 2-Azidobenzaldehydes: Access to 6H-Isochromeno[4,3-c]quinoline.
• Authors of publication: Mao, Xiao-Feng; Zhu, Xiao-Ping; Li, Deng-Yuan; Liu, Pei-Nian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 13
• Pages of publication: 7032 - 7039
• a: 10.119 ± 0.002 Å
• b: 11.447 ± 0.002 Å
• c: 16.905 ± 0.003 Å
• α: 76.716 ± 0.004°
• β: 84.104 ± 0.004°
• γ: 75.228 ± 0.004°
• Cell volume: 1840.7 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No