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Information card for entry 4072025
Preview
| Coordinates | 4072025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H65 P3 S4 |
|---|---|
| Calculated formula | C45 H65 P3 S4 |
| SMILES | S1P2(SP1(=S)C(=P(=C2c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cc1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=S |
| Title of publication | Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles† |
| Authors of publication | Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5118 |
| a | 38.65 ± 0.009 Å |
| b | 11.962 ± 0.003 Å |
| c | 39.259 ± 0.015 Å |
| α | 90° |
| β | 92.036 ± 0.003° |
| γ | 90° |
| Cell volume | 18139 ± 9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1982 |
| Residual factor for significantly intense reflections | 0.1844 |
| Weighted residual factors for significantly intense reflections | 0.422 |
| Weighted residual factors for all reflections included in the refinement | 0.4252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.83 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (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 4/07/20. |
4072025.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072025.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072025.cif |
| 44179 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072022, 4072023, 4072024, 4072025 via cif-deposit CGI script. |
4072025.cif |
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Users of the data should acknowledge the original authors of the
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