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Information card for entry 4115122
Preview
Coordinates | 4115122.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H38 Se6 |
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Calculated formula | C34 H38 Se6 |
SMILES | [Se]1C#CC#C[Se]CCCCC[Se]C#CC#C[Se]CCCCC[Se]C#CC#C[Se]CCCCC1.Cc1ccccc1 |
Title of publication | Nanotube Formation Favored by Chalcogen-Chalcogen Interactions |
Authors of publication | Daniel B. Werz; Rolf Gleiter; Frank Rominger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 10638 - 10639 |
a | 9.8742 ± 0.0002 Å |
b | 14.3502 ± 0.0004 Å |
c | 14.4637 ± 0.0004 Å |
α | 111.956 ± 0.001° |
β | 102.84 ± 0.001° |
γ | 103.67 ± 0.001° |
Cell volume | 1733.81 ± 0.08 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1182 |
Residual factor for significantly intense reflections | 0.0735 |
Weighted residual factors for significantly intense reflections | 0.1843 |
Weighted residual factors for all reflections included in the refinement | 0.2088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4115122.html
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Users of the data should acknowledge the original authors of the
structural data.