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Information card for entry 1518876
Preview
| Coordinates | 1518876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H64 O26 Zn8 |
|---|---|
| Calculated formula | C38 H64 O26 Zn8 |
| SMILES | [Zn]123[O]=C(O[Zn]45[O]=C(O[Zn]67[O]14[Zn]1([O]4CCC[C@H]4[O]3[Zn]34[O]=C(O[Zn]89[O]=C(O[Zn]%10([O]=C(O1)CC)[O]49[Zn]([O]=C(O3)CC)(OC(=[O]2)CC)([O]=C(O8)CC)[O]1[C@@H]([O]7%10)CCC1)CC)CC)([O]=C(O6)CC)OC(=[O]5)CC)CC)CC |
| Title of publication | Development of zinc alkyl/air systems as radical initiators for organic reactions |
| Authors of publication | Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 3102 |
| a | 9.5731 ± 0.0004 Å |
| b | 10.8542 ± 0.0006 Å |
| c | 13.0771 ± 0.0007 Å |
| α | 77.371 ± 0.002° |
| β | 83.044 ± 0.003° |
| γ | 80.914 ± 0.003° |
| Cell volume | 1304.01 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518876.cif |
| 138491 | 2015-06-07 | cif/ Updating files of 1518875, 1518876 Original log message: Adding full bibliography for 1518875--1518876.cif. |
1518876.cif |
| 134169 | 2015-03-20 | cif/ Adding structures of 1518875, 1518876 via cif-deposit CGI script. |
1518876.cif |
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