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Information card for entry 7115865
Preview
Coordinates | 7115865.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 O2 Se4 |
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Calculated formula | C28 H34 O2 Se4 |
SMILES | C(CCCC)COc1ccc(cc1)C1=C2C(=C(c3ccc(cc3)OCCCCCC)[Se][Se]2)[Se][Se]1 |
Title of publication | Diselenolodiselenole: a selenium containing fused heterocycle for conjugated systems |
Authors of publication | Anjan Bedi; Sashi Debnath; Sanjio S. Zade |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13454 |
a | 18.1478 ± 0.0013 Å |
b | 5.4977 ± 0.0004 Å |
c | 14.5628 ± 0.0009 Å |
α | 90° |
β | 92.282 ± 0.007° |
γ | 90° |
Cell volume | 1451.8 ± 0.17 Å3 |
Cell temperature | 140.82 ± 0.1 K |
Ambient diffraction temperature | 140.82 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation probe | x-ray |
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/7115865.html
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Users of the data should acknowledge the original authors of the
structural data.