Information card for entry 7158086

Structure parameters

• Formula: C23 H21 N O5
• Calculated formula: C23 H21 N O5
• SMILES: O=C1c2ccccc2OC2N(C(=O)CC(C1=2)c1ccccc1)C(=O)OC(C)(C)C
• Title of publication: N-Heterocyclic carbene-catalyzed [3 + 3] annulation of bromoenals with 2-aminochromones to access chromeno[2,3-<i>b</i>]pyridinones.
• Authors of publication: Jiang, Pengrui; Guo, Jingcheng; Gong, Minghua; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian; Huang, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4882 - 4886
• a: 9.8017 ± 0.0007 Å
• b: 10.5096 ± 0.0006 Å
• c: 10.5266 ± 0.0009 Å
• α: 89.694 ± 0.006°
• β: 63.187 ± 0.008°
• γ: 89.901 ± 0.005°
• Cell volume: 967.76 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0803
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No