Information card for entry 7126088

Structure parameters

• Formula: C24 H14 Br N O2
• Calculated formula: C24 H14 Br N O2
• SMILES: Brc1c(nc2c(c1)cccc2)C1=C(Oc2c(C1=O)cccc2)c1ccccc1
• Title of publication: Synthesis of 3-(2-quinolyl) chromones from ynones and quinoline N-oxides via tandem reactions under transition metal- and additive-free conditions.
• Authors of publication: Liu, Jing; Ba, Dan; Chen, Yanhui; Wen, Si; Cheng, Guolin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 29
• Pages of publication: 4078 - 4081
• a: 6.7672 ± 0.0007 Å
• b: 9.2017 ± 0.001 Å
• c: 15.1089 ± 0.0011 Å
• α: 81.431 ± 0.007°
• β: 82.868 ± 0.007°
• γ: 80.818 ± 0.009°
• Cell volume: 913.54 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No