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Information card for entry 7113668
Preview
Coordinates | 7113668.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H32 N4 |
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Calculated formula | C23 H32 N4 |
SMILES | C1(N(C)C(=C(N1C)C)C)C1=C[C-]c2ccccc12.c1n(c(c(C)[n+]1C)C)C |
Title of publication | Isolation of C?H?C(?) complexes from the reaction of stable carbenes with hydrocarbons |
Authors of publication | Filipponi, Silvia; Jones, Jamie N.; Johnson, Jennifer A.; Cowley, Alan H.; Grepioni, Fabrizia; Braga, Dario |
Journal of publication | Chemical Communications |
Year of publication | 2003 |
Journal issue | 21 |
Pages of publication | 2716 |
a | 8.0705 ± 0.0016 Å |
b | 8.4239 ± 0.0017 Å |
c | 8.6894 ± 0.0017 Å |
α | 77.92 ± 0.03° |
β | 64.47 ± 0.03° |
γ | 79.29 ± 0.03° |
Cell volume | 518.2 ± 0.2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1273 |
Weighted residual factors for all reflections included in the refinement | 0.1434 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7113668.html
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Users of the data should acknowledge the original authors of the
structural data.