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Information card for entry 4081670
Preview
Coordinates | 4081670.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H40 F6 Li2 N4 |
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Calculated formula | C26 H40 F6 Li2 N4 |
SMILES | [Li]12([N](C)(C)CC[N]1(C)C)[c]1(c(cccc1)C(F)(F)F)[Li]1([N](C)(C)CC[N]1(C)C)[c]12ccccc1C(F)(F)F |
Title of publication | Donor-Activated Lithiation and Sodiation of Trifluoromethylbenzene: Structural, Spectroscopic, and Theoretical Insights |
Authors of publication | Garden, Jennifer A.; Armstrong, David R.; Clegg, William; García-Alvarez, Joaquin; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.; Russo, Luca |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5481 |
a | 14.9318 ± 0.0007 Å |
b | 12.8892 ± 0.0007 Å |
c | 16.7268 ± 0.0009 Å |
α | 90° |
β | 116.089 ± 0.007° |
γ | 90° |
Cell volume | 2891.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0587 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081670.html
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Users of the data should acknowledge the original authors of the
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