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Information card for entry 4037020
Preview
Coordinates | 4037020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H31 Cl N2 O |
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Calculated formula | C20 H31 Cl N2 O |
SMILES | [Cl-].O=C1N2CCCC1c1cc[nH+]cc1CCCCCCCCCC2 |
Title of publication | Alkylidene Dihydropyridines As Synthetic Intermediates: Model Studies toward the Synthesis of the Bis(piperidine) Alkaloid Xestoproxamine C. |
Authors of publication | Lansakara, Ashabha I.; Mariappan, S. V. Santhana; Pigge, F. Christopher |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 21 |
Pages of publication | 10266 - 10278 |
a | 19.0891 ± 0.0019 Å |
b | 10.1206 ± 0.001 Å |
c | 9.764 ± 0.001 Å |
α | 90° |
β | 95.083 ± 0.005° |
γ | 90° |
Cell volume | 1878.9 ± 0.3 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190.15 K |
Number of distinct elements | 5 |
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 | 0.0625 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1602 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4037020.html
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Users of the data should acknowledge the original authors of the
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