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Information card for entry 1547512
Preview
Coordinates | 1547512.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H33 F6 N3 O6 S2 |
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Calculated formula | C20 H33 F6 N3 O6 S2 |
SMILES | S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.n1(c([n+](c(c1C)C)C)C1=[N+](C(C)C)C(C)(CC1(C)C)C)C |
Title of publication | Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. |
Authors of publication | Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 20 |
Pages of publication | 5605 - 5608 |
a | 15.6706 ± 0.0009 Å |
b | 12.5278 ± 0.0006 Å |
c | 14.3707 ± 0.0008 Å |
α | 90° |
β | 110.805 ± 0.006° |
γ | 90° |
Cell volume | 2637.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0365 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/1547512.html
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Users of the data should acknowledge the original authors of the
structural data.