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Information card for entry 4020003
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Coordinates | 4020003.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N-dimethyl (8-iodo-7-hydroxy-6-quinolyl)carboxamide |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4020003.html
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