Information card for entry 7155394

Structure parameters

• Formula: C19 H16 N2 O3
• Calculated formula: C19 H16 N2 O3
• SMILES: O(C(=O)C)c1c2c(nccc2)c(NC(=O)c2ccc(cc2)C)cc1
• Title of publication: Selective remote esterification of 8-aminoquinoline amides via copper(ii)-catalyzed C(sp(2))-O cross-coupling reaction.
• Authors of publication: Xia, Chengcai; Wang, Kai; Xu, Jun; Shen, Chao; Sun, Di; Li, Hongshuang; Wang, Guodong; Zhang, Pengfei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 531 - 535
• a: 6.1225 ± 0.0006 Å
• b: 16.4269 ± 0.0015 Å
• c: 15.5669 ± 0.0014 Å
• α: 90°
• β: 93.055 ± 0.003°
• γ: 90°
• Cell volume: 1563.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0636
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No