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Information card for entry 2103105
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Coordinates | 2103105.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | ortho tetrachlorodicyanobenzene/hexamethyl benzene, 1/1 |
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Formula | C20 H18 Cl4 N2 |
Calculated formula | C20 H18 Cl4 N2 |
SMILES | Cc1c(C)c(C)c(c(c1C)C)C.N#Cc1c(C#N)c(Cl)c(c(c1Cl)Cl)Cl |
Title of publication | Planar packing of tetrachlorodicyanobenzene isomers |
Authors of publication | Britton, Doyle |
Journal of publication | Acta Crystallographica, Section B: Structural Science |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 3 |
Pages of publication | 553 - 563 |
a | 15.824 ± 0.003 Å |
b | 9.1501 ± 0.0015 Å |
c | 13.894 ± 0.002 Å |
α | 90° |
β | 102.879 ± 0.003° |
γ | 90° |
Cell volume | 1961.1 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0626 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
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/2103105.html
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