Information card for entry 7125730

Structure parameters

• Formula: C17 H21 Cl F N2 O Rh
• Calculated formula: C17 H21 Cl F N2 O Rh
• Title of publication: Divergent C-H activation synthesis of chalcones, quinolones and indoles.
• Authors of publication: Shi, Yuesen; Xing, Huimin; Huang, Tianle; Liu, Xuexin; Chen, Jian; Guo, Xiaoyu; Li, Guo-Bo; Wu, Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1585 - 1588
• a: 8.543 ± 0.004 Å
• b: 14.111 ± 0.006 Å
• c: 14.684 ± 0.007 Å
• α: 90°
• β: 92.284 ± 0.007°
• γ: 90°
• Cell volume: 1768.8 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No