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Information card for entry 4070818
Preview
| Coordinates | 4070818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H34 Cl2 Co4 O18 |
|---|---|
| Calculated formula | C41 H34 Cl2 Co4 O18 |
| SMILES | C([Co]12(C#[O])(C#[O])[C]34=[C]1(CCCC[C]15=[C]6([C@@H]([C@H]3c3cc(c(c(c3)OC)OC)OC)c3cc(c(c(c3)OC)OC)OC)[Co]1(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Co]24(C#[O])(C#[O])C#[O])#[O].C(Cl)Cl.C([Co]12(C#[O])(C#[O])[C]34=[C]1(CCCC[C]15=[C]6([C@H]([C@@H]3c3cc(c(c(c3)OC)OC)OC)c3cc(c(c(c3)OC)OC)OC)[Co]1(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])[Co]24(C#[O])(C#[O])C#[O])#[O].C(Cl)Cl |
| Title of publication | Intramolecular Cyclizations of Co2(CO)6-Complexed Propargyl Radicals: Synthesis ofd,l- andmeso-1,5-Cyclodecadiynes |
| Authors of publication | Melikyan, Gagik G.; Wild, Christopher; Toure, Pogban |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 1569 |
| a | 22.2291 ± 0.0005 Å |
| b | 19.5356 ± 0.0005 Å |
| c | 21.5056 ± 0.0005 Å |
| α | 90° |
| β | 92.023 ± 0.001° |
| γ | 90° |
| Cell volume | 9333.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1201 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.2011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
4070818.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070818.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070818.cif |
| 42723 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070818 via cif-deposit CGI script. |
4070818.cif |
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Users of the data should acknowledge the original authors of the
structural data.