Information card for entry 1515337

Structure parameters

• Formula: C22.5 H17 Cl0.5 N6
• Calculated formula: C22.5 H17 Cl0.5 N6
• SMILES: N#CC(=C(C(=C(C#N)C#N)c1ccc(cc1)N)c1ccc(cc1)N(C)C)C#N.ClCCCl
• Title of publication: Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines
• Authors of publication: Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko
• Journal of publication: Polymer Chemistry
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1427
• a: 11.8246 ± 0.0002 Å
• b: 13.8037 ± 0.0003 Å
• c: 14.9944 ± 0.0003 Å
• α: 114.804 ± 0.001°
• β: 105.639 ± 0.001°
• γ: 98.943 ± 0.001°
• Cell volume: 2035.95 ± 0.08 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0514
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No