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Information card for entry 7102298
Preview
Coordinates | 7102298.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C87 H60 Cl6 N15 |
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Calculated formula | C87 H60 Cl6 N15 |
Title of publication | A novel reaction of 7,7,8,8-tetracyanoquinodimethane (TCNQ): charge-transfer chromophores by [2 + 2] cycloaddition with alkynes. |
Authors of publication | Kivala, Milan; Boudon, Corinne; Gisselbrecht, Jean-Paul; Seiler, Paul; Gross, Maurice; Diederich, François |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 45 |
Pages of publication | 4731 - 4733 |
a | 11.1429 ± 0.0014 Å |
b | 16.3191 ± 0.0015 Å |
c | 22.211 ± 0.0017 Å |
α | 82.97 ± 0.011° |
β | 85.747 ± 0.012° |
γ | 81.416 ± 0.011° |
Cell volume | 3957.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1514 |
Residual factor for significantly intense reflections | 0.1106 |
Weighted residual factors for significantly intense reflections | 0.2882 |
Weighted residual factors for all reflections included in the refinement | 0.3257 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.7107 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/7102298.html
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