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Information card for entry 7015874
Preview
| Coordinates | 7015874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1S-Bromo-4S-(trichloromethyl)cyclooctane |
|---|---|
| Formula | C9 H14 Br Cl3 |
| Calculated formula | C9 H14 Br Cl3 |
| SMILES | Br[C@@H]1CC[C@@H](C(Cl)(Cl)Cl)CCCC1.Br[C@H]1CC[C@H](C(Cl)(Cl)Cl)CCCC1 |
| Title of publication | Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN. |
| Authors of publication | Eckenhoff, William T.; Pintauer, Tomislav |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 4909 - 4917 |
| a | 7.5398 ± 0.0005 Å |
| b | 8.8709 ± 0.0006 Å |
| c | 9.3096 ± 0.0007 Å |
| α | 89.529 ± 0.001° |
| β | 78.355 ± 0.001° |
| γ | 71.407 ± 0.001° |
| Cell volume | 576.97 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.835 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179862 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58. |
7015874.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015874.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015874.cif |
| 21371 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015870, 7015871, 7015872, 7015873, 7015874, 7015875, 7015876, 7015877 via cif-deposit CGI script. |
7015874.cif |
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