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Information card for entry 2008063
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| Coordinates | 2008063.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | (2,2'-biphenoxy)(cyclohexylamino)phosphate |
|---|---|
| Chemical name | 2,2'-Biphenyl (Cyclohexylamino)phosphonate |
| Formula | C18 H20 N O3 P |
| Calculated formula | C18 H20 N O3 P |
| SMILES | P1(=O)(Oc2ccccc2c2ccccc2O1)NC1CCCCC1 |
| Title of publication | 2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer |
| Authors of publication | Muthaiah, C.; Kumara Swamy, K. C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 110 - 112 |
| a | 11.834 ± 0.002 Å |
| b | 12.159 ± 0.004 Å |
| c | 12.438 ± 0.004 Å |
| α | 90° |
| β | 112.77 ± 0.02° |
| γ | 90° |
| Cell volume | 1650.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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