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Information card for entry 4038352
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Coordinates | 4038352.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H25 N O3 S2 |
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Calculated formula | C24 H25 N O3 S2 |
Title of publication | A rearrangement of 3-hydroxyazetidines into 2-oxazolines. |
Authors of publication | Ruggeri, Michele; Dombrowski, Amanda W.; Djuric, Stevan W.; Baxendale, Ian R. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 5.9971 ± 0.0002 Å |
b | 19.0997 ± 0.0008 Å |
c | 20.3305 ± 0.0008 Å |
α | 69.0014 ± 0.0014° |
β | 87.1419 ± 0.0016° |
γ | 87.6311 ± 0.0016° |
Cell volume | 2170.67 ± 0.15 Å3 |
Cell temperature | 273.15 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
251997 (current) | 2020-05-13 | cif/ Adding structures of 4038352 via cif-deposit CGI script. |
4038352.cif |
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Users of the data should acknowledge the original authors of the
structural data.