Information card for entry 2229323

Structure parameters

• Chemical name: 1,8-Bis(3-chloroanilino)-<i>N</i>,<i>N</i>'-bis(3-chlorophenyl)octane- 1,8-diimine
• Formula: C32 H30 Cl4 N4
• Calculated formula: C32 H30 Cl4 N4
• SMILES: Clc1cccc(c1)N/C(=N/c1cccc(c1)Cl)CCCCCCC(=N\c1cccc(c1)Cl)/Nc1cccc(c1)Cl
• Title of publication: 1,8-Bis(3-chloroanilino)-<i>N</i>,<i>N</i>'-bis(3-chlorophenyl)octane-1,8-diimine
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Rodrigues, Vinola Z.; Spandana, H. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o609
• a: 22.349 ± 0.003 Å
• b: 13.223 ± 0.002 Å
• c: 22.644 ± 0.003 Å
• α: 90 ± 0.003°
• β: 108.79 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 6335.1 ± 1.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes