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Information card for entry 4105204
Preview
Coordinates | 4105204.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H33 N O5 |
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Calculated formula | C27 H33 N O5 |
SMILES | O(c1c2N(C(=O)[C@@H]3[C@@H](c2ccc1)[C@@H]([C@@H](C3)C)C(=O)OC(C)(C)C)Cc1ccc(OC)cc1)C.O(c1c2N(C(=O)[C@H]3[C@H](c2ccc1)[C@H]([C@H](C3)C)C(=O)OC(C)(C)C)Cc1ccc(OC)cc1)C |
Title of publication | Synthesis of Highly Enantioenriched 3,4-Dihydroquinolin-2-ones by 6-Exo-trig Radical Cyclizations of Axially Chiral α-Halo-ortho-alkenyl Anilides |
Authors of publication | David B. Guthrie; Steven J. Geib; Dennis P. Curran |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15492 - 15500 |
a | 12.012 ± 0.003 Å |
b | 9.305 ± 0.002 Å |
c | 22.056 ± 0.005 Å |
α | 90° |
β | 101.822 ± 0.005° |
γ | 90° |
Cell volume | 2412.9 ± 1 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1066 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1323 |
Weighted residual factors for all reflections included in the refinement | 0.1537 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
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/4105204.html
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Users of the data should acknowledge the original authors of the
structural data.