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Information card for entry 1519076
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| Coordinates | 1519076.cif |
|---|
| Formula | C13 H12 Br4 |
|---|---|
| Calculated formula | C13 Br4 |
| SMILES | BrC1(Br)C[C@@H]1C[C@@]1(CC1(Br)Br)c1ccccc1.BrC1(Br)C[C@H]1C[C@]1(CC1(Br)Br)c1ccccc1 |
| Title of publication | Photochemical reduction of gem-dihalocyclopropanes. III. Debromination of some compounds containing two 1,1-dibromocyclopropane moieties |
| Authors of publication | Leiv K. Sydnes; Hans H. Ovrebo; Thoralf Engebretsen |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 417 - 424 |
| a | 6.451 ± 0.001 Å |
| b | 12.681 ± 0.003 Å |
| c | 17.809 ± 0.004 Å |
| α | 90° |
| β | 95.82 ± 0.03° |
| γ | 90° |
| Cell volume | 1449.4 ± 0.5 Å3 |
| Ambient diffraction temperature | 109 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519076.cif |
| 135350 | 2015-04-24 | cif/ Adding structures of 1519076 via cif-deposit CGI script. |
1519076.cif |
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Users of the data should acknowledge the original authors of the
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