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Information card for entry 7159577
Preview
Coordinates | 7159577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H26 S2 |
---|---|
Calculated formula | C17 H26 S2 |
Title of publication | Dithioallyl cation (3 + 2) cycloadditions under aprotic reaction conditions: rapid access to spiro-fused cyclopentane scaffolds. |
Authors of publication | Degroote, Frederick; Denoo, Bram; Ryckaert, Bram; Callebaut, Brenda; Van Hecke, Kristof; Hullaert, Jan; Winne, Johan M. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 40 |
Pages of publication | 8117 - 8124 |
a | 10.1865 ± 0.0003 Å |
b | 8.189 ± 0.00017 Å |
c | 19.2034 ± 0.0004 Å |
α | 90° |
β | 96.644 ± 0.002° |
γ | 90° |
Cell volume | 1591.14 ± 0.07 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0317 |
Residual factor for significantly intense reflections | 0.0295 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7159577.html
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Users of the data should acknowledge the original authors of the
structural data.