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Information card for entry 1555936
Preview
Coordinates | 1555936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H35 N3 O6 |
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Calculated formula | C27 H35 N3 O6 |
SMILES | C(=O)(N[C@@H]([C@H](/C=C/[C@@H](ON1CCOCC1)c1ccc(cc1)C)O)CC(C)C)c1ccc(N(=O)=O)cc1 |
Title of publication | A Linchpin Synthesis of 6-Hydroxyceramides from Aziridine Aldehydes. |
Authors of publication | Liew, Sean K.; Kaldas, Sherif J.; Yudin, Andrei K. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 24 |
Pages of publication | 6268 - 6271 |
a | 5.1132 ± 0.0001 Å |
b | 29.4098 ± 0.0007 Å |
c | 8.8232 ± 0.0002 Å |
α | 90° |
β | 92.686 ± 0.001° |
γ | 90° |
Cell volume | 1325.36 ± 0.05 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1555936.html
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