Information card for entry 7129217

Structure parameters

• Formula: C21 H19 Cl N2 O
• Calculated formula: C21 H19 Cl N2 O
• SMILES: Clc1cc(N2CCCCC2)c2nc(C(=O)c3ccccc3)ccc2c1
• Title of publication: Copper(I)-catalyzed tandem synthesis of 2-acylquinolines from 2-ethynylanilines and glyoxals.
• Authors of publication: Wang, Guanghui; Jia, Jian; Liu, Gang; Yu, Mingwu; Chu, Xiaoxiao; Liu, Xiguang; Zhao, Ximei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 89
• Pages of publication: 11811 - 11814
• a: 9.9491 ± 0.0003 Å
• b: 8.2942 ± 0.0002 Å
• c: 11.528 ± 0.0004 Å
• α: 90°
• β: 111.243 ± 0.004°
• γ: 90°
• Cell volume: 886.65 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No