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Information card for entry 2008490
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| Coordinates | 2008490.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 1,11-undecanediol |
|---|---|
| Formula | C11 H24 O2 |
| Calculated formula | C11 H24 O2 |
| SMILES | OCCCCCCCCCCCO |
| Title of publication | 1,11-Undecanediol |
| Authors of publication | Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 5 |
| Pages of publication | 789 - 791 |
| a | 7.145 ± 0.004 Å |
| b | 32.419 ± 0.009 Å |
| c | 5.142 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1191.1 ± 0.9 Å3 |
| Cell temperature | 298.2 K |
| Ambient diffraction temperature | 298.2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Goodness-of-fit parameter for all reflections | 1.334 |
| Goodness-of-fit parameter for significantly intense reflections | 1.38 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.