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Information card for entry 2012583
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| Coordinates | 2012583.cif |
|---|---|
| Structure factors | 2012583.hkl |
| Original IUCr paper | HTML |
| Chemical name | Cyclohexylphosphonic acid |
|---|---|
| Formula | C6 H13 O3 P |
| Calculated formula | C6 H13 O3 P |
| SMILES | C1(CCCCC1)P(=O)(O)O |
| Title of publication | Cyclohexylphosphonic acid |
| Authors of publication | Merz, Klaus; Knüfer, Annegret |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | o187 - o188 |
| a | 6.8193 ± 0.0014 Å |
| b | 6.7291 ± 0.0013 Å |
| c | 9.0902 ± 0.0018 Å |
| α | 90° |
| β | 104.72 ± 0.03° |
| γ | 90° |
| Cell volume | 403.44 ± 0.15 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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