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Information card for entry 2008508
Preview
Coordinates | 2008508.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,7-Dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione |
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Formula | C12 H16 Br2 O2 |
Calculated formula | C12 H16 Br2 O2 |
SMILES | Br[C@H]1[C@@H]2CCC[C@]2(Br)C(=O)C[C@H](CC1=O)C.Br[C@@H]1[C@H]2CCC[C@@]2(Br)C(=O)C[C@@H](CC1=O)C |
Title of publication | 3-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (I), 5-bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (II), 3,5-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (III), and 1,7-dibromo-4-methylbicyclo[6.3.0]undecane-2,6-dione, (IV) |
Authors of publication | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 5 |
Pages of publication | IUC9900040 |
a | 7.228 ± 0.002 Å |
b | 15.875 ± 0.003 Å |
c | 5.851 ± 0.002 Å |
α | 99.57 ± 0.03° |
β | 98.31 ± 0.03° |
γ | 77.2 ± 0.02° |
Cell volume | 641.5 ± 0.3 Å3 |
Cell temperature | 298 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 significantly intense reflections | 0.041 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.23 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2008508.html
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