Information card for entry 2202809

Structure parameters

• Formula: C24 H18 Cl6 N6
• Calculated formula: C24 H18 Cl6 N6
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.N#C/N=c1/n(C)c(c2c1c(c1ccccc1)n(/c2=N/C#N)C)c1ccccc1
• Title of publication: 2,5-Dihydro-2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-(diylidene)bis(cyanamide) chloroform disolvate
• Authors of publication: Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1453 - o1454
• a: 8.656 ± 0.003 Å
• b: 13.768 ± 0.007 Å
• c: 11.67 ± 0.005 Å
• α: 90°
• β: 110.61 ± 0.02°
• γ: 90°
• Cell volume: 1301.8 ± 1 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes