Information card for entry 1555023

Structure parameters

• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• Title of publication: One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes
• Authors of publication: Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2897
• a: 11.0804 ± 0.0003 Å
• b: 12.2799 ± 0.0005 Å
• c: 13.6018 ± 0.0004 Å
• α: 75.764 ± 0.003°
• β: 84.604 ± 0.003°
• γ: 89.194 ± 0.003°
• Cell volume: 1785.88 ± 0.11 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: 0.0668
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No