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Information card for entry 4070845
Preview
| Coordinates | 4070845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H38 Cl3 O3 Rh |
|---|---|
| Calculated formula | C28 H38 Cl3 O3 Rh |
| SMILES | ClC(Cl)Cl.[Rh]1234567([c]8([C@H]9[C@H](O)CCC9)[c]2([cH]1[c]3([cH]48)[C@@H]1CCC[C@H]1O)[C@@H]1[C@@H](O)CCC1)[CH]1=[CH]5C2[CH]6=[CH]7C1C2.ClC(Cl)Cl.[Rh]1234567([c]8([C@@H]9[C@@H](O)CCC9)[c]2([cH]1[c]3([cH]48)[C@H]1CCC[C@@H]1O)[C@H]1[C@H](O)CCC1)[CH]1=[CH]5C2[CH]6=[CH]7C1C2 |
| Title of publication | Diastereoselective Synthesis of New Rhodium-Based Amphiphilic Polyol-Cp Systems |
| Authors of publication | Bordoni, Silvia; Natanti, Paolo; Cerini, Stefano; Tarroni, Riccardo; Monari, Magda; Piccinelli, Fabio; Busetto, Luigi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 945 |
| a | 9.6097 ± 0.0004 Å |
| b | 11.3454 ± 0.0005 Å |
| c | 14.8142 ± 0.0007 Å |
| α | 104.724 ± 0.001° |
| β | 96.667 ± 0.001° |
| γ | 115.065 ± 0.001° |
| Cell volume | 1368.05 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (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 4/07/08. |
4070845.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070845.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070845.cif |
| 42753 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070845 via cif-deposit CGI script. |
4070845.cif |
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Users of the data should acknowledge the original authors of the
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