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Information card for entry 2006381
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| Coordinates | 2006381.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,8-Bis(dimethylphosphino)naphthalene |
|---|---|
| Formula | C14 H18 P2 |
| Calculated formula | C14 H18 P2 |
| SMILES | P(C)(C)c1cccc2c1c(P(C)(C))ccc2 |
| Title of publication | 1,8-Bis(dimethylphosphino)naphthalene: an Unusual Case of Pseudosymmetry |
| Authors of publication | Jones, Peter G.; Thönnessen, Holger; Karac̀¨ar, Atilla; Schmutzler, Reinhard |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1119 - 1122 |
| a | 12.8075 ± 0.0018 Å |
| b | 12.8075 ± 0.0018 Å |
| c | 16.419 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2693.2 ± 0.7 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 106 |
| Hermann-Mauguin space group symbol | P 42 b c |
| Hall space group symbol | P 4c -2ab |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections | 0.101 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Goodness-of-fit parameter for all reflections | 1.064 |
| Goodness-of-fit parameter for significantly intense reflections | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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