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Information card for entry 4031988
Preview
Coordinates | 4031988.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 F N O6 |
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Calculated formula | C21 H26 F N O6 |
SMILES | Fc1ccc2N([C@@H]([C@@](O)(c2c1)C(=O)OC(C)C)C(=C)C(=O)OC(C)(C)C)C(=O)C.Fc1ccc2N([C@H]([C@](O)(c2c1)C(=O)OC(C)C)C(=C)C(=O)OC(C)(C)C)C(=O)C |
Title of publication | Phosphine-Catalyzed (4 + 1) Annulation of o-Hydroxyphenyl and o-Aminophenyl Ketones with Allylic Carbonates: Syntheses and Transformations of 3-Hydroxy-2,3-Disubstituted Dihydrobenzofurans and Indolines. |
Authors of publication | Qin, Zifeng; Liu, Wei; Wang, Danyang; He, Zhengjie |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 11 |
Pages of publication | 4690 - 4700 |
a | 10.881 ± 0.002 Å |
b | 19.835 ± 0.004 Å |
c | 11.526 ± 0.005 Å |
α | 90° |
β | 118.23 ± 0.02° |
γ | 90° |
Cell volume | 2191.7 ± 1.2 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0615 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/4031988.html
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