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Information card for entry 4517147
Preview
Coordinates | 4517147.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 N2 O2 |
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Calculated formula | C17 H18 N2 O2 |
SMILES | O=C(OC)C1=CN([C@@](C=C1)(C)c1ccc2[nH]ccc2c1)C |
Title of publication | Enantioselective Synthesis of Dihydropyridines Containing Quaternary Stereocenters Through Dearomatization of Pyridinium Salts |
Authors of publication | Robinson, Donovan J.; Spurlin, Sean P.; Gorden, John D.; Karimov, Rashad R. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 51 |
a | 6.326 ± 0.0003 Å |
b | 10.0783 ± 0.0004 Å |
c | 12.7658 ± 0.0005 Å |
α | 69.309 ± 0.002° |
β | 86.674 ± 0.002° |
γ | 77.439 ± 0.002° |
Cell volume | 743.01 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1288 |
Weighted residual factors for all reflections included in the refinement | 0.1308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4517147.html
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