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Information card for entry 1504486
Preview
Coordinates | 1504486.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H20 O |
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Calculated formula | C16 H20 O |
SMILES | O[C@@]12CCCC[C@H]1CC=C[C@H]2c1ccccc1.O[C@]12CCCC[C@@H]1CC=C[C@@H]2c1ccccc1 |
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 | 6.2381 ± 0.0002 Å |
b | 10.5891 ± 0.0003 Å |
c | 11.1078 ± 0.0003 Å |
α | 114.895 ± 0.0016° |
β | 103.505 ± 0.0016° |
γ | 96.4693 ± 0.0018° |
Cell volume | 628.37 ± 0.03 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1159 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/1504486.html
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Users of the data should acknowledge the original authors of the
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