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Information card for entry 7015876
Preview
Coordinates | 7015876.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1S-bromo-4R-(tribromomethyl)cyclooctane |
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Formula | C9 H14 Br4 |
Calculated formula | C9 H14 Br4 |
SMILES | BrC(Br)(Br)[C@H]1CC[C@@H](Br)CCCC1.BrC(Br)(Br)[C@@H]1CC[C@H](Br)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 | 7.3269 ± 0.0001 Å |
b | 9.2822 ± 0.0001 Å |
c | 9.4153 ± 0.0002 Å |
α | 100.61 ± 0.001° |
β | 92.644 ± 0.001° |
γ | 98.734 ± 0.001° |
Cell volume | 620.275 ± 0.017 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 | 0.0304 |
Residual factor for significantly intense reflections | 0.0214 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.654 |
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/7015876.html
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