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Information card for entry 4111860
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Coordinates | 4111860.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TIPS-T7-TIPS |
---|---|
Formula | C34 H44 S7 Si2 |
Calculated formula | C34 H44 S7 Si2 |
SMILES | c1(cc2c(c3c(c4c(c5c(c6c(c7c(cc(s7)[Si](C(C)C)(C(C)C)C(C)C)s6)s5)s4)s3)s2)s1)[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Synthesis and Structure of Fused α-Oligothiophenes with up to Seven Rings |
Authors of publication | Xinnan Zhang; Adrien P. Côté; Adam J. Matzger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 10502 - 10503 |
a | 17.9934 ± 0.0016 Å |
b | 29.79 ± 0.003 Å |
c | 13.4276 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7197.5 ± 1.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0823 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/4111860.html
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Users of the data should acknowledge the original authors of the
structural data.