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Information card for entry 1506773
Preview
Coordinates | 1506773.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 N2 O3 |
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Calculated formula | C18 H26 N2 O3 |
SMILES | N1([C@@H]2[C@H]([C@H]([C@H]([C@H]1C)C=C2)CO)CO)/C(=N/C)c1ccccc1.O.N1([C@H]2[C@@H]([C@@H]([C@@H]([C@@H]1C)C=C2)CO)CO)/C(=N/C)c1ccccc1.O |
Title of publication | A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines. |
Authors of publication | Sales, Marcelo; Charette, André B |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 26 |
Pages of publication | 5773 - 5776 |
a | 7.6022 ± 0.0001 Å |
b | 9.2365 ± 0.0002 Å |
c | 12.431 ± 0.0002 Å |
α | 102.263 ± 0.001° |
β | 96.458 ± 0.001° |
γ | 100.565 ± 0.001° |
Cell volume | 828.02 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1356 |
Weighted residual factors for all reflections included in the refinement | 0.1391 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/1506773.html
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Users of the data should acknowledge the original authors of the
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