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Information card for entry 7015873
Preview
| Coordinates | 7015873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | cis-1-chloro-4-(trichloromethyl)cyclooctane |
|---|---|
| Formula | C9 H14 Cl4 |
| Calculated formula | C9 H14 Cl4 |
| SMILES | ClC(Cl)(Cl)[C@H]1CCCC[C@H](Cl)CC1.ClC(Cl)(Cl)[C@@H]1CCCC[C@@H](Cl)CC1 |
| 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 | 7.3804 ± 0.0002 Å |
| b | 8.8401 ± 0.0002 Å |
| c | 9.3662 ± 0.0002 Å |
| α | 88.614 ± 0.001° |
| β | 77.95 ± 0.001° |
| γ | 71.886 ± 0.001° |
| Cell volume | 567.46 ± 0.02 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.777 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7015873.cif |
| 179862 | 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. |
7015873.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015873.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015873.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. |
7015873.cif |
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Users of the data should acknowledge the original authors of the
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