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Information card for entry 8106540
Preview
| Coordinates | 8106540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 Cl O5 P |
|---|---|
| Calculated formula | C18 H24 Cl O5 P |
| Title of publication | Crystal structure of 1-(diethoxy phosphonomethyl) 2-benzoyl-3-chloro-2-cyclohexen-1-ol, C18H24ClO5P |
| Authors of publication | Maluleka, Marole M.; Mphahlele, Malose J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 371 - 373 |
| a | 11.514 ± 0.0014 Å |
| b | 11.5358 ± 0.0015 Å |
| c | 15.582 ± 0.002 Å |
| α | 76.106 ± 0.002° |
| β | 77.556 ± 0.002° |
| γ | 74.783 ± 0.003° |
| Cell volume | 1912.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280516 (current) | 2023-01-23 | cif/ Adding structures of 8106540 via cif-deposit CGI script. |
8106540.cif |
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Users of the data should acknowledge the original authors of the
structural data.