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Information card for entry 4070908
Preview
| Coordinates | 4070908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Cr O4 Si |
|---|---|
| Calculated formula | C28 H34 Cr O4 Si |
| SMILES | [Cr]12345([c]6([cH]5[cH]4[c]3([Si](C)(C)C)[cH]2[cH]16)O[C@@]1(c2ccccc2)[C@@]2(CC[C@H](C1)C2(C)C)C)(C#[O])(C#[O])C#[O] |
| Title of publication | Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality |
| Authors of publication | Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 900 |
| a | 10.7012 ± 0.0014 Å |
| b | 10.8019 ± 0.0014 Å |
| c | 22.171 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2562.8 ± 0.6 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178598 (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 4/07/09. |
4070908.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070908.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070908.cif |
| 42838 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070908, 4070909, 4070910 via cif-deposit CGI script. |
4070908.cif |
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Users of the data should acknowledge the original authors of the
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