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Information card for entry 2001326
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Coordinates | 2001326.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | exo 3-Acetoxy-2,4-diethoxy-6-(carbonyloxazolidin-2'-on)-3,4-dihydropyrane |
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Formula | C15 H21 N O8 |
Calculated formula | C15 H21 N O8 |
SMILES | O1[C@@H]([C@@H]([C@H](C=C1C(=O)N1C(=O)OCC1)OCC)OC(=O)C)OCC.O1[C@H]([C@H]([C@@H](C=C1C(=O)N1C(=O)OCC1)OCC)OC(=O)C)OCC |
Title of publication | Structures of <i>endo</i>- and <i>exo</i>-3-acetoxy-2,4-diethoxy-6-(2-oxo-1,3-oxazolidin-3-ylcarbonyl)-3,4-dihydro-2<i>H</i>-pyran |
Authors of publication | Pohl, E.; Herbst-Irmer, R.; Noltemeyer, M.; Schneider, C.; Tietze, L. F. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 10 |
Pages of publication | 1850 - 1852 |
a | 9.016 ± 0.002 Å |
b | 9.038 ± 0.002 Å |
c | 10.85 ± 0.002 Å |
α | 104.6 ± 0.02° |
β | 91.6 ± 0.02° |
γ | 91.48 ± 0.02° |
Cell volume | 854.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for all reflections | 0.1124 |
Weighted residual factors for significantly intense reflections | 0.101 |
Goodness-of-fit parameter for all reflections | 1.058 |
Goodness-of-fit parameter for significantly intense reflections | 1.039 |
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/2001326.html
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