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Information card for entry 7056558
Preview
Coordinates | 7056558.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H12 Br2 |
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Calculated formula | C20 H12 Br2 |
SMILES | Brc1c(c2c(cc1)cccc2)c1c(Br)ccc2ccccc12 |
Title of publication | Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives |
Authors of publication | Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J. |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
a | 7.3184 ± 0.0005 Å |
b | 12.8258 ± 0.0009 Å |
c | 18.0272 ± 0.0013 Å |
α | 109.369 ± 0.002° |
β | 90.011 ± 0.002° |
γ | 102.874 ± 0.002° |
Cell volume | 1551.16 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Weighted residual factors for all reflections included in the refinement | 0.0664 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/7056558.html
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Users of the data should acknowledge the original authors of the
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