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Information card for entry 7154571
Preview
Coordinates | 7154571.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H5 N O2 S3 |
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Calculated formula | C6 H5 N O2 S3 |
SMILES | S1C2N(CC)C(=O)SC=2SC1=O |
Title of publication | Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors. |
Authors of publication | Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 31 |
Pages of publication | 8479 - 8486 |
a | 8.5086 ± 0.0016 Å |
b | 9.106 ± 0.003 Å |
c | 11.589 ± 0.002 Å |
α | 90° |
β | 110.442 ± 0.008° |
γ | 90° |
Cell volume | 841.4 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0384 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0816 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7154571.html
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Users of the data should acknowledge the original authors of the
structural data.