Information card for entry 7127268

Structure parameters

• Formula: C33 H28 F2 N2 O4
• Calculated formula: C33 H28 F2 N2 O4
• SMILES: FC(F)(C(=O)OCC)CC(c1ccc(NC(=O)c2cc3ccccc3cc2)c2ncccc12)c1ccc(OC)cc1
• Title of publication: Three-component ruthenium-catalyzed remote C-H functionalization of 8-aminoquinoline amides.
• Authors of publication: Shi, Wei-Yu; Ding, Ya-Nan; Liu, Ce; Zheng, Nian; Gou, Xue-Ya; Li, Ming; Zhang, Zhe; Liu, Hong-Chao; Niu, Zhi-Jie; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12729 - 12732
• a: 26.9151 ± 0.0004 Å
• b: 13.9396 ± 0.0002 Å
• c: 7.31714 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2745.29 ± 0.07 ų
• Cell temperature: 293.01 ± 0.11 K
• Ambient diffraction temperature: 293.01 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No