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Information card for entry 1506596
Preview
Coordinates | 1506596.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H50 N4 Si2 |
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Calculated formula | C48 H50 N4 Si2 |
SMILES | [Si](C#Cc1c2cc3cc(c(cc3cc2c(c2cc3cc(c(cc3cc12)C#N)C#N)C#C[Si](C(C)C)(C(C)C)C(C)C)C#N)C#N)(C(C)C)(C(C)C)C(C)C |
Title of publication | Synthesis and characterization of electron-deficient pentacenes. |
Authors of publication | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 15 |
Pages of publication | 3163 - 3166 |
a | 25.6777 ± 0.0006 Å |
b | 7.359 ± 0.0002 Å |
c | 22.1035 ± 0.0006 Å |
α | 90° |
β | 97.9757 ± 0.0012° |
γ | 90° |
Cell volume | 4136.32 ± 0.19 Å3 |
Cell temperature | 90 ± 0.2 K |
Ambient diffraction temperature | 90 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1084 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1506596.html
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