Information card for entry 7121127

Structure parameters

• Chemical name: 5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline
• Formula: C10 H6 Cl3 N O2
• Calculated formula: C10 H6 Cl3 N O2
• SMILES: c1(ccc2c(c(c(c(c2n1)O)Cl)Cl)Cl)OC
• Title of publication: Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.
• Authors of publication: Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 992 - 995
• a: 21.1155 ± 0.0009 Å
• b: 4.9816 ± 0.0002 Å
• c: 21.6442 ± 0.0008 Å
• α: 90°
• β: 111.532 ± 0.003°
• γ: 90°
• Cell volume: 2117.84 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No