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Information card for entry 1555815
Preview
Coordinates | 1555815.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H24 O S2 |
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Calculated formula | C27 H24 O S2 |
SMILES | S1C2(SCCC1)C(O)(C(=C\c1ccccc1)/C(=C2)c1ccccc1)c1ccccc1 |
Title of publication | Direct Regioselective [3 + 2]-Cyclization Reactions of Ambivalent Electrophilic/Nucleophilic β-Chlorovinyl Dithianes: Access to Cyclopentene Derivatives. |
Authors of publication | Liang, Yongping; Lai, Junshan; Liu, Teng; Tang, Shouchu |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 5086 - 5089 |
a | 15.4129 ± 0.0003 Å |
b | 9.30538 ± 0.00016 Å |
c | 15.704 ± 0.0003 Å |
α | 90° |
β | 99.233 ± 0.0019° |
γ | 90° |
Cell volume | 2223.13 ± 0.07 Å3 |
Cell temperature | 291.48 ± 0.1 K |
Ambient diffraction temperature | 291.48 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/1555815.html
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Users of the data should acknowledge the original authors of the
structural data.