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Information card for entry 4065020
Preview
Coordinates | 4065020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H22 N4 O7 Si |
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Calculated formula | C17 H22 N4 O7 Si |
SMILES | [Si](C)(CCCc1[nH+]cccc1)(C)C.O=N(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1[O-] |
Title of publication | Solution and Gas-Phase Investigations of Trimethylsilylpropyl-Substituted Pyridinium Ions. Manifestation of the Silicon δ Effect |
Authors of publication | Karnezis, Asimo; O’Hair, Richard A. J.; White, Jonathan M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5665 |
a | 6.7542 ± 0.001 Å |
b | 11.2277 ± 0.0012 Å |
c | 13.9266 ± 0.0016 Å |
α | 90.444 ± 0.009° |
β | 98.291 ± 0.011° |
γ | 94.511 ± 0.01° |
Cell volume | 1041.6 ± 0.2 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0995 |
Residual factor for significantly intense reflections | 0.0742 |
Weighted residual factors for significantly intense reflections | 0.1901 |
Weighted residual factors for all reflections included in the refinement | 0.2148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4065020.html
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