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Information card for entry 4071634
Preview
| Coordinates | 4071634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O2 S2 |
|---|---|
| Calculated formula | C20 H22 O2 S2 |
| SMILES | c1(ccccc1)SC(=C\C=C(CCO)/Sc1ccccc1)/CCO |
| Title of publication | Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes |
| Authors of publication | Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4056 |
| a | 24.993 ± 0.004 Å |
| b | 24.993 ± 0.004 Å |
| c | 7.3862 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3995.7 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071634.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071634.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071634.cif |
| 43956 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071634 via cif-deposit CGI script. |
4071634.cif |
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Users of the data should acknowledge the original authors of the
structural data.