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Information card for entry 2206711
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| Coordinates | 2206711.cif |
|---|---|
| Structure factors | 2206711.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-4-Methylcyclohexylcarbamoylphosphonic acid |
|---|---|
| Formula | C8 H16 N O4 P |
| Calculated formula | C8 H16 N O4 P |
| SMILES | C(=O)(N[C@H]1CC[C@@H](CC1)C)P(=O)(O)O |
| Title of publication | <i>trans</i>-(4-Methylcyclohexylcarbamoyl)phosphonic acid: a representative matrix metalloproteinase (MMP) inhibitor |
| Authors of publication | Shmuel Cohen; Yiffat Katz; Reuven Reich; Eli Breuer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o3008 - o3010 |
| a | 15.0959 ± 0.0015 Å |
| b | 8.2686 ± 0.0008 Å |
| c | 9.3397 ± 0.0009 Å |
| α | 90° |
| β | 94.812 ± 0.002° |
| γ | 90° |
| Cell volume | 1161.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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