Information card for entry 2205848

Structure parameters

• Chemical name: 2,3,5,6-tetrachlorodicyanobenzene‒anthracene (1/1)
• Formula: C22 H10 Cl4 N2
• Calculated formula: C22 H10 Cl4 N2
• SMILES: c1ccc2c(c1)cc1c(c2)cccc1.N#Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)C#N
• Title of publication: 2,3,5,6-Tetrachloro-1,4-dicyanobenzene‒anthracene (1/1)
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1707 - o1708
• a: 7.294 ± 0.002 Å
• b: 8.762 ± 0.002 Å
• c: 8.891 ± 0.002 Å
• α: 64.87 ± 0.01°
• β: 70.1 ± 0.01°
• γ: 73.79 ± 0.01°
• Cell volume: 477.6 ± 0.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes