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Information card for entry 1519074
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Coordinates | 1519074.cif |
---|
Formula | C18 H6 Cl4 N4 |
---|---|
Calculated formula | C18 Cl4 N4 |
SMILES | ClC1C(C=C(Cl)C(C=1)=C(C#N)C#N)=C(C#N)C#N.Clc1ccccc1Cl |
Title of publication | Crystal Structure of Three Compounds Related to Triphenylene and Tetracyanoquinodimethane |
Authors of publication | Andresen, Thomas L.; Krebs, Frederik C.; Larsen, Mogens; Thorup, Niels |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1999 |
Journal volume | 53 |
Pages of publication | 410 - 416 |
a | 13.692 ± 0.003 Å |
b | 7.7183 ± 0.0015 Å |
c | 16.391 ± 0.003 Å |
α | 90° |
β | 99.47 ± 0.03° |
γ | 90° |
Cell volume | 1708.6 ± 0.6 Å3 |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for significantly intense reflections | 0.0846 |
Weighted residual factors for significantly intense reflections | 0.2285 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 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/1519074.html
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