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Information card for entry 4071383
Preview
| Coordinates | 4071383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H30 Br O3 P |
|---|---|
| Calculated formula | C24 H30 Br O3 P |
| SMILES | [Br-].[P+]1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)(Cc1ccccc1)Cc1ccccc1.[Br-].[P+]1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | General Routes to Alkyl Phosphatrioxaadamantane Ligands |
| Authors of publication | Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3216 |
| a | 10.108 ± 0.005 Å |
| b | 10.339 ± 0.004 Å |
| c | 11.856 ± 0.002 Å |
| α | 71.83 ± 0.02° |
| β | 88.97 ± 0.03° |
| γ | 73.25 ± 0.03° |
| Cell volume | 1123.8 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13. |
4071383.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071383.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071383.cif |
| 43176 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071383, 4071384, 4071385, 4071386, 4071387, 4071388 via cif-deposit CGI script. |
4071383.cif |
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Users of the data should acknowledge the original authors of the
structural data.