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Information card for entry 1506774
Preview
Coordinates | 1506774.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H33 N O4 |
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Calculated formula | C24 H33 N O4 |
SMILES | N1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)CO)COCc1ccccc1)COCc1ccccc1)CO.N1[C@H]([C@H]([C@H]([C@H]([C@H]1C)CO)COCc1ccccc1)COCc1ccccc1)CO |
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 | 10.685 ± 0.003 Å |
b | 24.806 ± 0.006 Å |
c | 8.872 ± 0.002 Å |
α | 90° |
β | 108.68 ± 0.03° |
γ | 90° |
Cell volume | 2227.7 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0518 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 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/1506774.html
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