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Information card for entry 7110244
Preview
| Coordinates | 7110244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H46 Cl2 O7 Rh2 |
|---|---|
| Calculated formula | C46 H46 Cl2 O7 Rh2 |
| SMILES | [Rh]1234([Cl][Rh]567([Cl]1)[C]1(O[C@@H]8[C@]([CH]5=1)(C[C]7(=[CH]68)c1ccccc1)C(=O)OC)c1ccccc1)[C]1(O[C@@H]5[C@]([CH]2=1)(C[C]4(=[CH]35)c1ccccc1)C(=O)OC)c1ccccc1.O(CC)CC.[Rh]1234([Cl][Rh]567([Cl]1)[C]1(O[C@H]8[C@@]([CH]5=1)(C[C]7(=[CH]68)c1ccccc1)C(=O)OC)c1ccccc1)[C]1(O[C@H]5[C@@]([CH]2=1)(C[C]4(=[CH]35)c1ccccc1)C(=O)OC)c1ccccc1.O(CC)CC |
| Title of publication | Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons |
| Authors of publication | Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 808 |
| a | 16.3366 ± 0.0013 Å |
| b | 14.6059 ± 0.0012 Å |
| c | 17.7679 ± 0.0014 Å |
| α | 90° |
| β | 105.468 ± 0.001° |
| γ | 90° |
| Cell volume | 4086.1 ± 0.6 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180216 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02. |
7110244.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7110244.cif |
| 93826 | 2014-01-15 | cif/ Adding structures of 7110242, 7110243, 7110244 via cif-deposit CGI script. |
7110244.cif |
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Users of the data should acknowledge the original authors of the
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