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Information card for entry 4035506
Preview
Coordinates | 4035506.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-(2-tert-butoxycarbonylethyl)-2-cyano-1-methyl-3-phenylpiperidine |
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Formula | C20 H28 N2 O2 |
Calculated formula | C20 H28 N2 O2 |
Title of publication | Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement. |
Authors of publication | Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 7 |
Pages of publication | 4105 - 4110 |
a | 7.8725 ± 0.0002 Å |
b | 10.546 ± 0.0003 Å |
c | 12.3593 ± 0.0002 Å |
α | 95.609 ± 0.002° |
β | 97.192 ± 0.002° |
γ | 108.834 ± 0.002° |
Cell volume | 953.04 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0759 |
Residual factor for significantly intense reflections | 0.0713 |
Weighted residual factors for significantly intense reflections | 0.2206 |
Weighted residual factors for all reflections included in the refinement | 0.2277 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/4035506.html
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