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Information card for entry 2100994
Preview
| Coordinates | 2100994.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H14 Br2 |
|---|---|
| Calculated formula | C13 H14 Br2 |
| SMILES | BrC1(Br)[C@]2([C@]3(C4(C5(C64CC6)CC5)C3)C2)C1.BrC1(Br)[C@@]2([C@@]3(C4(C5(C64CC6)CC5)C3)C2)C1 |
| Title of publication | Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes |
| Authors of publication | Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 4 |
| Pages of publication | 704 - 708 |
| a | 7.433 ± 0.005 Å |
| b | 9.508 ± 0.006 Å |
| c | 10.12 ± 0.009 Å |
| α | 111.69 ± 0.02° |
| β | 93.81 ± 0.06° |
| γ | 100.23 ± 0.05° |
| Cell volume | 647.1 ± 0.9 Å3 |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | Mo |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.