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Information card for entry 1565984
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Coordinates | 1565984.cif |
---|---|
Structure factors | 1565984.hkl |
Original IUCr paper | HTML |
Chemical name | [Sulfonylbis(bromomethylene)]dibenzene |
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Formula | C14 H12 Br2 O2 S |
Calculated formula | C14 H12 Br2 O2 S |
SMILES | Br[C@@H](S(=O)(=O)[C@@H](Br)c1ccccc1)c1ccccc1 |
Title of publication | [Sulfonylbis(bromomethylene)]dibenzene |
Authors of publication | Corfield, Peter W. R. |
Journal of publication | IUCrData |
Year of publication | 2022 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | x211351 |
a | 16.53 ± 0.1 Å |
b | 12.81 ± 0.05 Å |
c | 13.46 ± 0.07 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2850 ± 3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0632 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
272058 (current) | 2022-01-15 | cif/ hkl/ Adding structures of 1565984 via cif-deposit CGI script. |
1565984.cif 1565984.hkl |
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Users of the data should acknowledge the original authors of the
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