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Information card for entry 1508906
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Coordinates | 1508906.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2b in manuscript |
---|---|
Formula | C26 H34 N2 Se Si2 |
Calculated formula | C26 H34 N2 Se Si2 |
SMILES | [se]1nc2c(C#C[Si](CC)(CC)CC)c3c(c(C#C[Si](CC)(CC)CC)c2n1)cccc3 |
Title of publication | From thia- to selenadiazoles: changing interaction priority. |
Authors of publication | Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F. |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 3 |
Pages of publication | 666 - 669 |
a | 10.4163 ± 0.0009 Å |
b | 17.0453 ± 0.0014 Å |
c | 15.4541 ± 0.0013 Å |
α | 90° |
β | 106.965 ± 0.001° |
γ | 90° |
Cell volume | 2624.5 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0731 |
Weighted residual factors for all reflections included in the refinement | 0.0824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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