Information card for entry 7157825

Structure parameters

• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• SMILES: O1N2C(=CC1=O)c1ccccc1C1C(=O)CC(CC2=1)(C)C
• Title of publication: Construction of isoxazolone-fused phenanthridines <i>via</i> Rh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones.
• Authors of publication: Hu, Wangcheng; He, Xinwei; Zhou, Tongtong; Zuo, Youpeng; Zhang, Shiwen; Yang, Tingting; Shang, Yongjia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 552 - 556
• a: 5.6716 ± 0.0005 Å
• b: 11.2488 ± 0.0011 Å
• c: 11.2777 ± 0.001 Å
• α: 71.977 ± 0.004°
• β: 78.405 ± 0.004°
• γ: 83.669 ± 0.004°
• Cell volume: 669.34 ± 0.11 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0588
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No