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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7015874.html
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