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Information card for entry 1506783
Preview
Coordinates | 1506783.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H23 N O3 |
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Calculated formula | C20 H23 N O3 |
SMILES | C1(=O)N(c2ccc(cc2)OC)C[C@@H](C)[C@](O)(c2ccccc2)[C@H]1C.C1(=O)N(c2ccc(cc2)OC)C[C@H](C)[C@@](O)(c2ccccc2)[C@@H]1C |
Title of publication | Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization. |
Authors of publication | Lam, Hon Wai; Murray, Gordon J.; Firth, James D. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 25 |
Pages of publication | 5743 - 5746 |
a | 20.655 ± 0.0003 Å |
b | 6.0188 ± 0.0001 Å |
c | 13.3363 ± 0.0002 Å |
α | 90° |
β | 97.128 ± 0.001° |
γ | 90° |
Cell volume | 1645.13 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0811 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for all reflections | 0.1297 |
Weighted residual factors for significantly intense reflections | 0.1184 |
Weighted residual factors for all reflections included in the refinement | 0.1297 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9474 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1506783.html
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