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Information card for entry 7156598
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Coordinates | 7156598.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H7 Br I N |
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Calculated formula | C10 H7 Br I N |
Title of publication | Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives. |
Authors of publication | Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 17 |
Journal issue | 1 |
Pages of publication | 156 - 164 |
a | 10.5281 ± 0.001 Å |
b | 7.794 ± 0.0009 Å |
c | 25.907 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2125.8 ± 0.4 Å3 |
Cell temperature | 294.63 ± 0.1 K |
Ambient diffraction temperature | 294.63 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1534 |
Residual factor for significantly intense reflections | 0.1155 |
Weighted residual factors for significantly intense reflections | 0.2883 |
Weighted residual factors for all reflections included in the refinement | 0.3252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7156598.html
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Users of the data should acknowledge the original authors of the
structural data.