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Information card for entry 7121270
Preview
Coordinates | 7121270.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-fluoro-3-iodo-2-nitro-1-(pyrimidin-2-yl)-1H-indole |
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Formula | C12 H6 F I N4 O2 |
Calculated formula | C12 H6 F I N4 O2 |
SMILES | Ic1c2c(n(c3ncccn3)c1N(=O)=O)cccc2F |
Title of publication | Copper-mediated domino C-H iodination and nitration of indoles. |
Authors of publication | Tu, Daoquan; Luo, Jun; Jiang, Chao |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 20 |
Pages of publication | 2514 - 2517 |
a | 16.618 ± 0.005 Å |
b | 9.329 ± 0.003 Å |
c | 8.15 ± 0.003 Å |
α | 90° |
β | 90.387 ± 0.006° |
γ | 90° |
Cell volume | 1263.5 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0631 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1518 |
Weighted residual factors for all reflections included in the refinement | 0.1665 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/7121270.html
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