Information card for entry 7052921

Structure parameters

• Formula: C15 H14 N6 O6
• Calculated formula: C15 H14 N6 O6
• SMILES: C(C)(C)Nc1c(cc(cc1)N=Nc1ccc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Solvatochromism and acidochromism of azobenzene-functionalized poly(vinyl amines)
• Authors of publication: Hofmann, Katja; Brumm, Susann; Mende, Carola; Nagel, Kevin; Seifert, Andreas; Roth, Isabelle; Schaarschmidt, Dieter; Lang, Heinrich; Spange, Stefan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1655
• a: 13.8296 ± 0.0005 Å
• b: 6.6323 ± 0.0002 Å
• c: 35.6388 ± 0.0012 Å
• α: 90°
• β: 90.16 ± 0.003°
• γ: 90°
• Cell volume: 3268.85 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No