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Information card for entry 4036623
Preview
Coordinates | 4036623.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H24 F N O4 S |
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Calculated formula | C19 H24 F N O4 S |
SMILES | C1[C@@]23CC[C@@H](C2(C)C)C[C@H]3N(C(=O)[C@@H](Cc2ccc(cc2)F)O)S1(=O)=O |
Title of publication | Stereoselective α-Hydroxylation of Amides Using Oppolzer's Sultam as Chiral Auxiliary. |
Authors of publication | Zhang, Lumin; Zhu, Lili; Yang, Jun; Luo, Jisheng; Hong, Ran |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3890 - 3900 |
a | 10.695 ± 0.01 Å |
b | 6.585 ± 0.006 Å |
c | 14.025 ± 0.014 Å |
α | 90° |
β | 111.141 ± 0.01° |
γ | 90° |
Cell volume | 921.3 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0703 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4036623.html
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Users of the data should acknowledge the original authors of the
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