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Information card for entry 4030119
Preview
Coordinates | 4030119.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H19 N O4 |
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Calculated formula | C15 H19 N O4 |
SMILES | O[C@@H]1[C@@H]2N([C@@H](c3ccccc3)C)CC[C@H]([C@@H]2OC1=O)O |
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 | 25.9883 ± 0.0007 Å |
b | 25.9883 ± 0.0007 Å |
c | 5.81758 ± 0.00017 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3402.74 ± 0.16 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0987 |
Residual factor for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections | 0.1243 |
Weighted residual factors for significantly intense reflections | 0.1013 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1027 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4030119.html
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