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Information card for entry 7156019
Preview
Coordinates | 7156019.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H11 N O2 S3 |
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Calculated formula | C10 H11 N O2 S3 |
SMILES | S(=O)(=O)(N1C(=S)SCC1)c1ccc(cc1)C |
Title of publication | Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes. |
Authors of publication | Anitha, Mandala; Swamy, K. C. Kumara |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 3 |
Pages of publication | 402 - 413 |
a | 6.1417 ± 0.0008 Å |
b | 9.665 ± 0.0013 Å |
c | 20.803 ± 0.003 Å |
α | 90° |
β | 97.498 ± 0.002° |
γ | 90° |
Cell volume | 1224.3 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0574 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1351 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
230882 (current) | 2019-11-17 | cif/ Updating files of 7156017, 7156018, 7156019, 7156020, 7156021 Original log message: Adding full bibliography for 7156017--7156021.cif. |
7156019.cif |
204036 | 2017-12-07 | cif/ Adding structures of 7156017, 7156018, 7156019, 7156020, 7156021 via cif-deposit CGI script. |
7156019.cif |
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Users of the data should acknowledge the original authors of the
structural data.