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Information card for entry 4072935
Preview
| Coordinates | 4072935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H18 Br2 O Te |
|---|---|
| Calculated formula | C16 H18 Br2 O Te |
| Title of publication | Room-Temperature Insertion of Elemental Tellurium into the Csp3−Br and −I Bonds of α-Bromo- and α-Iodopinacolone |
| Authors of publication | Chauhan, Ashok K. S.; Singh, Puspendra; Kumar, Arun; Srivastava, Ramesh C.; Butcher, Ray J.; Duthie, Andrew |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 8 |
| Pages of publication | 1955 |
| a | 6.515 ± 0.0012 Å |
| b | 14.279 ± 0.003 Å |
| c | 19.049 ± 0.004 Å |
| α | 90° |
| β | 93.574 ± 0.003° |
| γ | 90° |
| Cell volume | 1768.6 ± 0.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072935.cif |
| 178618 | 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 4/07/29. |
4072935.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072935.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072935.cif |
| 46078 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072933, 4072934, 4072935, 4072936, 4072937 via cif-deposit CGI script. |
4072935.cif |
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Users of the data should acknowledge the original authors of the
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