Information card for entry 4000943

Structure parameters

• Formula: C17 H17 N3 O4
• Calculated formula: C17 H17 N3 O4
• SMILES: c1(ccc(cc1)/C=C/c1ccc(c(c1)N(=O)=O)NCCC)N(=O)=O
• Title of publication: Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials
• Authors of publication: Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 9
• Pages of publication: 2720
• a: 14.0954 ± 0.0002 Å
• b: 13.6059 ± 0.0002 Å
• c: 16.2976 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125.56 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No