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Information card for entry 4029551
Preview
Coordinates | 4029551.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H23 N O5 |
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Calculated formula | C22 H23 N O5 |
SMILES | O=C(OC)[C@@H](NC(=O)OCc1ccccc1)[C@H]1[C@@H]([C@H]1C)C(=O)c1ccccc1.O=C(OC)[C@H](NC(=O)OCc1ccccc1)[C@@H]1[C@H]([C@@H]1C)C(=O)c1ccccc1 |
Title of publication | A concise route to beta-Cyclopropyl amino acids utilizing 1,2-dioxines and stabilized phosphonate nucleophiles. |
Authors of publication | Avery, Thomas D.; Greatrex, Ben W.; Pedersen, Daniel Sejer; Taylor, Dennis K.; Tiekink, Edward R. T. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Journal issue | 7 |
Pages of publication | 2633 - 2640 |
a | 11.8275 ± 0.0009 Å |
b | 17.1277 ± 0.0014 Å |
c | 9.6366 ± 0.0008 Å |
α | 90° |
β | 97.521 ± 0.002° |
γ | 90° |
Cell volume | 1935.4 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.071 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.141 |
Weighted residual factors for all reflections included in the refinement | 0.156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71069 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/4029551.html
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