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Information card for entry 4032954
Preview
Coordinates | 4032954.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H22 Se6 Si2 |
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Calculated formula | C24 H22 Se6 Si2 |
SMILES | [se]1c([Si](C)(C)C)cc2c1[se]c1[se]c3c(c21)c1c([se]c2[se]c4[se]c([Si](C)(C)C)cc4c12)cc3 |
Title of publication | Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes. |
Authors of publication | Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 20 |
Pages of publication | 11192 - 11197 |
a | 16.4144 ± 0.0011 Å |
b | 10.1288 ± 0.0007 Å |
c | 18.9016 ± 0.0013 Å |
α | 90° |
β | 114.719 ± 0.001° |
γ | 90° |
Cell volume | 2854.6 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.0611 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
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/4032954.html
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