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Information card for entry 4130664
Preview
Coordinates | 4130664.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H58 S6 Si6 |
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Calculated formula | C42 H58 S6 Si6 |
SMILES | [Si](C)(C)(C)c1c2c3c(c4c(c5c(c6c3c(c3c(c7c2c([Si](C)(C)C)sc7)csc3[Si](C)(C)C)c([Si](C)(C)C)s6)sc([Si](C)(C)C)c5)cc([Si](C)(C)C)s4)s1 |
Title of publication | Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties. |
Authors of publication | Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 31 |
Pages of publication | 10002 - 10010 |
a | 12.2794 ± 0.0007 Å |
b | 19.0648 ± 0.0011 Å |
c | 23.574 ± 0.0013 Å |
α | 90° |
β | 100.784 ± 0.001° |
γ | 90° |
Cell volume | 5421.3 ± 0.5 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0893 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1218 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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