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Information card for entry 4105521
Preview
| Coordinates | 4105521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H92 Ge2 O |
|---|---|
| Calculated formula | C72 H92 Ge2 O |
| SMILES | [Ge@]12([Ge@]3([C@H]4[C@@H]1[C@H]([C@H]4C=C3)C=C2)c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C.CCOCC |
| Title of publication | Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage |
| Authors of publication | Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 180 - 183 |
| a | 13.0753 ± 0.0007 Å |
| b | 34.0196 ± 0.0017 Å |
| c | 13.3778 ± 0.0007 Å |
| α | 90° |
| β | 93.156 ± 0.002° |
| γ | 90° |
| Cell volume | 5941.6 ± 0.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178801 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/55. |
4105521.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4105521.cif |
| 52280 | 2012-04-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4105521 via cif-deposit CGI script. |
4105521.cif |
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Users of the data should acknowledge the original authors of the
structural data.