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Information card for entry 4030027
Preview
Coordinates | 4030027.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H18 Br N O4 |
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Calculated formula | C21 H18 Br N O4 |
SMILES | Br[C@@H]1[C@H]2[C@@H](c3ccccc3)N(C(=O)Oc3ccccc3)[C@@H]1[C@@H]1[C@@H](C(=O)O1)C2 |
Title of publication | Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst. |
Authors of publication | Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 20 |
Pages of publication | 9500 - 9511 |
a | 9.7466 ± 0.0007 Å |
b | 9.9284 ± 0.0007 Å |
c | 18.783 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1817.6 ± 0.2 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0601 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030027.html
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Users of the data should acknowledge the original authors of the
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