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Information card for entry 1552241
Preview
Coordinates | 1552241.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 N2 O7 S |
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Calculated formula | C22 H24 N2 O7 S |
SMILES | S(=O)(=O)(N1C(=O)O[C@H]([C@@H]1C(C)C)/C=C(\C)c1ccc(OC)cc1)c1ccc(N(=O)=O)cc1 |
Title of publication | Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones |
Authors of publication | Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 7.5533 ± 0.0002 Å |
b | 9.7486 ± 0.0002 Å |
c | 29.0797 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2141.26 ± 0.08 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.038 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552241.html
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