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Information card for entry 1547095
Preview
Coordinates | 1547095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 I N |
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Calculated formula | C14 H10 I N |
SMILES | I/C(=C(C#N)\C)c1ccc2ccccc2c1 |
Title of publication | Copper-Catalyzed Regio- and Stereoselective Iodocyanation and Dicyanation of Alkynes with Cyanogen Iodide. |
Authors of publication | Sakata, Naoki; Sasakura, Kohei; Matsushita, Gaku; Okamoto, Kazuhiro; Ohe, Kouichi |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 13 |
Pages of publication | 3422 - 3425 |
a | 10.89 ± 0.003 Å |
b | 12.636 ± 0.003 Å |
c | 8.646 ± 0.002 Å |
α | 90° |
β | 94.343 ± 0.003° |
γ | 90° |
Cell volume | 1186.3 ± 0.5 Å3 |
Cell temperature | 143 K |
Ambient diffraction temperature | 143 K |
Number of distinct elements | 4 |
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 | 0.0247 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.0586 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71075 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/1547095.html
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