Information card for entry 1555024

Structure parameters

• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: c1cccc2c1cc1c([C@H]([C@@H](c3ccccc3)OC1=O)c1ccccc1)n2.c1cccc2c1cc1c([C@@H]([C@H](c3ccccc3)OC1=O)c1ccccc1)n2
• 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: 8.5534 ± 0.0008 Å
• b: 5.4976 ± 0.0002 Å
• c: 37.5979 ± 0.0018 Å
• α: 90°
• β: 93.982 ± 0.006°
• γ: 90°
• Cell volume: 1763.7 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No