Information card for entry 7160752

Structure parameters

• Common name: Benzo[h]isoquinolin-3-ones
• Chemical name: ethyl 2-cyclohexyl-3-oxo-2,3-dihydrobenzo[h]isoquinoline-4-carboxylate
• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• Title of publication: One-pot three-component synthesis of benzo[<i>h</i>]isoquinolin-3-ones <i>via</i> rhodium(III)-catalyzed C-H activation.
• Authors of publication: Song, Weihong; Jiang, Xiaomei; Yu, Weiguo; Xiang, ZiWei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 9587 - 9591
• a: 11.7981 ± 0.0012 Å
• b: 12.8375 ± 0.0014 Å
• c: 12.4903 ± 0.0013 Å
• α: 90°
• β: 104.568 ± 0.005°
• γ: 90°
• Cell volume: 1830.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0406
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No