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Information card for entry 4025824
Preview
Coordinates | 4025824.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H19 N O3 |
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Calculated formula | C14 H19 N O3 |
SMILES | O1C(=O)N(CC[C@@H]1[C@H](O)CC)Cc1ccccc1.O1C(=O)N(CC[C@H]1[C@@H](O)CC)Cc1ccccc1 |
Title of publication | One-Pot Conversions of Olefins to Cyclic Carbonates and Secondary Allylic and Homoallylic Amines to Cyclic Carbamates |
Authors of publication | Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Giovanna Poce; Paul M. Roberts; James E. Thomson; David M. Williamson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 7745 - 7756 |
a | 12.0044 ± 0.0004 Å |
b | 9.1663 ± 0.0004 Å |
c | 12.0881 ± 0.0005 Å |
α | 90° |
β | 92.713 ± 0.0018° |
γ | 90° |
Cell volume | 1328.63 ± 0.09 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0647 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for all reflections | 0.1412 |
Weighted residual factors for significantly intense reflections | 0.1349 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9854 |
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/4025824.html
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