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CIF Information Card
Information card for 1000018
1000017 << 1000018 >> 1000019Preview
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Coordinates |
1000018.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol |
| Formula | - C13 H22 O3 - |
| Calculated formula | - C13 H22 O3 - |
| Title of publication | (1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds |
| Authors of publication | Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 8 |
| Pages of publication | o474 - o476 |
| a | 9.812 ± 0.002 Å |
| b | 11.141 ± 0.001 Å |
| c | 11.443 ± 0.002 Å |
| α | 82.47 ± 0.01° |
| β | 77.56 ± 0.01° |
| γ | 89.46 ± 0.01° |
| Cell volume | 1210.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.094 |
| Residual factor for observed reflections | 0.054 |
| Weighted residual factors for the observed reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.156 |
| Goodness-of-fit parameter for observed reflections | 1.101 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Dublicate of | 2012894 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |