Information card for entry 7150682

Structure parameters

• Formula: C34 H18 Cl4 N6
• Calculated formula: C34 H18 Cl4 N6
• SMILES: c1ccc(C(=c2ccc(/C(=C(\C#N)c3ccc(=C(c4ccc[nH]4)c4c(cccc4Cl)Cl)n3)C#N)n2)c2c(cccc2Cl)Cl)[nH]1
• Title of publication: Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene‒DDQ adduct
• Authors of publication: Shin, Ji-Young; Patrick, Brian O.; Dolphin, David
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2032 - 2035
• a: 14.153 ± 0.0016 Å
• b: 10.3574 ± 0.0011 Å
• c: 20.116 ± 0.002 Å
• α: 90°
• β: 92.535 ± 0.005°
• γ: 90°
• Cell volume: 2945.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No