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Information card for entry 4030117
Preview
Coordinates | 4030117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H19 N O3 |
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Calculated formula | C15 H19 N O3 |
SMILES | O[C@H]1[C@H]2N(CC[C@@H]1OC(=O)C2)[C@@H](c1ccccc1)C |
Title of publication | Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids. |
Authors of publication | Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 22 |
Pages of publication | 10932 - 10944 |
a | 7.7876 ± 0.0002 Å |
b | 9.2123 ± 0.0002 Å |
c | 9.6509 ± 0.0003 Å |
α | 90° |
β | 107.017 ± 0.003° |
γ | 90° |
Cell volume | 662.06 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0302 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for all reflections | 0.0772 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0157 |
Diffraction radiation wavelength | 1.5418 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/4030117.html
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