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Information card for entry 2006868
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Coordinates | 2006868.cif |
---|---|
Original IUCr paper | HTML |
Formula | C18 H20 N O6 P |
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Calculated formula | C18 H20 N O6 P |
SMILES | P(=O)(OC)(OC)[C@H](OC(=O)Nc1ccccc1)[C@@H]1O[C@H]1c1ccccc1.P(=O)(OC)(OC)[C@@H](OC(=O)Nc1ccccc1)[C@H]1O[C@@H]1c1ccccc1 |
Title of publication | Dimethyl (±)-(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*)-[3-phenyl-1-(<i>N</i>-phenylcarbamoyloxy)-2,3-epoxypropyl]phosphonate |
Authors of publication | Boehlow, Todd; De la Cruz, Antonette; Rath, Nigam P.; Spilling, Christopher D. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 12 |
Pages of publication | 1947 - 1949 |
a | 11.8479 ± 0.0001 Å |
b | 9.4494 ± 0.0002 Å |
c | 17.8596 ± 0.0003 Å |
α | 90° |
β | 108.384 ± 0.001° |
γ | 90° |
Cell volume | 1897.44 ± 0.05 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
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 | 0.084 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for all reflections | 0.1286 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Goodness-of-fit parameter for all reflections | 1.147 |
Goodness-of-fit parameter for significantly intense reflections | 1.206 |
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/2006868.html
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Users of the data should acknowledge the original authors of the
structural data.