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Information card for entry 2008506
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Coordinates | 2008506.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 5-Bromo-4-methylbicyclo[6.3.0]undecane-2,6-dione |
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Formula | C12 H17 Br O2 |
Calculated formula | C12 H17 Br O2 |
SMILES | Br[C@@H]1C(=O)C[C@@H]2CCC[C@H]2C(=O)C[C@H]1C.Br[C@H]1C(=O)C[C@H]2CCC[C@@H]2C(=O)C[C@@H]1C |
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 | 7.186 ± 0.001 Å |
b | 18.104 ± 0.002 Å |
c | 9.569 ± 0.002 Å |
α | 90° |
β | 97.34 ± 0.02° |
γ | 90° |
Cell volume | 1234.7 ± 0.3 Å3 |
Cell temperature | 295 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.074 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
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/2008506.html
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