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Information card for entry 1570012
Preview
Coordinates | 1570012.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6-chloro-3-iodoimidazo[1,2-a]pyrazine |
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Formula | C6 H3 Cl I N3 |
Calculated formula | C6 H3 Cl I N3 |
Title of publication | Calculation-assisted regioselective functionalization of the imidazo[1,2-<i>a</i>]pyrazine scaffold <i>via</i> zinc and magnesium organometallic intermediates. |
Authors of publication | Kastrati, Agonist; Kremsmair, Alexander; Sunagatullina, Alisa S.; Korotenko, Vasilii; Guersoy, Yusuf C.; Rout, Saroj K.; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Zipse, Hendrik; Knochel, Paul |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 40 |
Pages of publication | 11261 - 11266 |
a | 6.0804 ± 0.0003 Å |
b | 9.9981 ± 0.0005 Å |
c | 13.2176 ± 0.0007 Å |
α | 78.932 ± 0.004° |
β | 86.169 ± 0.004° |
γ | 79.771 ± 0.004° |
Cell volume | 775.61 ± 0.07 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.055 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/1570012.html
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