Information card for entry 4020003

Structure parameters

• Chemical name: N,N-dimethyl (8-iodo-7-hydroxy-6-quinolyl)carboxamide
• Formula: C12 H11 I N2 O2
• Calculated formula: C12 H11 I N2 O2
• Title of publication: Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls
• Authors of publication: Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 373 - 376
• a: 10.361 ± 0.0002 Å
• b: 7.742 ± 0.0002 Å
• c: 15.539 ± 0.0004 Å
• α: 90°
• β: 107.664 ± 0.001°
• γ: 90°
• Cell volume: 1187.69 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No