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Information card for entry 1504485
Preview
Coordinates | 1504485.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H23 N O |
---|---|
Calculated formula | C18 H23 N O |
SMILES | O[C@@]1([C@@H](CCCC1)CCC#N)[C@H](c1ccccc1)C=C.O[C@]1([C@H](CCCC1)CCC#N)[C@@H](c1ccccc1)C=C |
Title of publication | Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds. |
Authors of publication | Dunet, Guillaume; Mayer, Peter; Knochel, Paul |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 1 |
Pages of publication | 117 - 120 |
a | 12.8059 ± 0.0004 Å |
b | 8.5365 ± 0.0003 Å |
c | 14.3248 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1565.95 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0781 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/1504485.html
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Users of the data should acknowledge the original authors of the
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