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Information card for entry 4127034
Preview
Coordinates | 4127034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H19 N O4 |
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Calculated formula | C11 H19 N O4 |
SMILES | O=C1O[C@H](CC[C@@H]1NC(=O)OC(C)(C)C)C |
Title of publication | Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs. |
Authors of publication | Zwick, Christian R.; Renata, Hans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 18.0473 ± 0.0009 Å |
b | 5.647 ± 0.0003 Å |
c | 12.1602 ± 0.0006 Å |
α | 90° |
β | 91.82 ± 0.002° |
γ | 90° |
Cell volume | 1238.66 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0279 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.0687 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4127034.html
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Users of the data should acknowledge the original authors of the
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