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Information card for entry 1543215
Preview
Coordinates | 1543215.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H21 N O5 |
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Calculated formula | C17 H21 N O5 |
SMILES | c1ccccc1C(=O)CC1OCC(=O)N1C(C)(C)COC(=O)C |
Title of publication | Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation. |
Authors of publication | El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 10 |
Pages of publication | 2383 - 2386 |
a | 7.8917 ± 0.0006 Å |
b | 22.2343 ± 0.0015 Å |
c | 9.4685 ± 0.0006 Å |
α | 90° |
β | 91.94 ± 0.002° |
γ | 90° |
Cell volume | 1660.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0942 |
Residual factor for significantly intense reflections | 0.0471 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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