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Information card for entry 1544941
Preview
Coordinates | 1544941.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H28 Cl2 O8 S2 |
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Calculated formula | C26 H28 Cl2 O8 S2 |
SMILES | Cl[C@H](CC(SSC(C[C@@H](Cl)c1ccccc1)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)c1ccccc1 |
Title of publication | Ring-Opening 1,3-Halochalcogenation of Cyclopropane Dicarboxylates. |
Authors of publication | Wallbaum, Jan; Garve, Lennart K. B.; Jones, Peter G.; Werz, Daniel B. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 1 |
Pages of publication | 98 - 101 |
a | 7.5065 ± 0.0004 Å |
b | 8.2625 ± 0.0003 Å |
c | 12.1071 ± 0.0005 Å |
α | 93.086 ± 0.003° |
β | 105.999 ± 0.004° |
γ | 96.045 ± 0.004° |
Cell volume | 715.11 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0295 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0749 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1544941.html
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Users of the data should acknowledge the original authors of the
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