Information card for entry 2214648

Structure parameters

• Chemical name: (<i>E</i>,<i>E</i>)-4,4',6,6'-Tetrachloro-2,2'-(1,1'-azinodiethylene)diphenol
• Formula: C18 H16 Cl4 N2 O2
• Calculated formula: C18 H16 Cl4 N2 O2
• SMILES: CCC(=N\N=C(\c1cc(Cl)cc(c1O)Cl)CC)/c1cc(Cl)cc(c1O)Cl
• Title of publication: (<i>E</i>,<i>E</i>)-4,4',6,6'-Tetrachloro-2,2'-(1,1'-azinodiethylene)diphenol
• Authors of publication: Jian-Guo Chang; Xiao-Hong Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3382 - o3382
• a: 7.8251 ± 0.0005 Å
• b: 8.0294 ± 0.0004 Å
• c: 8.3899 ± 0.0005 Å
• α: 65.894 ± 0.002°
• β: 80.961 ± 0.004°
• γ: 74.821 ± 0.002°
• Cell volume: 463.63 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes