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Information card for entry 7132546
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7132546.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H16 Br N O2 S2 |
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Calculated formula | C18 H16 Br N O2 S2 |
SMILES | Brc1ccc(/C=C/C2(SCCCS2)c2cc(N(=O)=O)ccc2)cc1 |
Title of publication | Indium-catalyzed inter- and intramolecular dithianyl-alkyne metathesis reactions. |
Authors of publication | Chen, Xi; Li, Rui-Peng; Long, Peng; Tang, Yuxi; Li, Jia; Tang, Shouchu |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 10 |
Pages of publication | 1285 - 1288 |
a | 18.3295 ± 0.0003 Å |
b | 10.5061 ± 0.0002 Å |
c | 18.8191 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3624.02 ± 0.11 Å3 |
Cell temperature | 300.49 ± 0.1 K |
Ambient diffraction temperature | 300.49 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.1201 |
Weighted residual factors for all reflections included in the refinement | 0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7132546.html
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