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Information card for entry 4028884
Preview
Coordinates | 4028884.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H37 N O7 |
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Calculated formula | C37 H37 N O7 |
SMILES | O1[C@@H](N2OC(=O)C=C2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1 |
Title of publication | Synthesis of Isoxazolin-5-one Glucosides by a Cascade Reaction |
Authors of publication | Tobias Becker; Helmar Görls; Gerhard Pauls; Roland Wedekind; Marco Kai; Stephan H. von Reuß; Wilhelm Boland |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12779 - 12783 |
a | 10.6443 ± 0.0005 Å |
b | 12.4845 ± 0.0006 Å |
c | 12.8966 ± 0.0006 Å |
α | 104.609 ± 0.002° |
β | 96.556 ± 0.002° |
γ | 104.52 ± 0.002° |
Cell volume | 1576.38 ± 0.13 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0332 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4028884.html
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