Information card for entry 4000944

Structure parameters

• Formula: C17 H17 N3 O6
• Calculated formula: C17 H17 N3 O6
• SMILES: c1(ccc(cc1)/C=C/c1ccc(c(c1)N(=O)=O)NC(CO)CO)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: 6.6544 ± 0.0003 Å
• b: 14.0082 ± 0.0005 Å
• c: 17.2852 ± 0.0007 Å
• α: 90°
• β: 98.891 ± 0.004°
• γ: 90°
• Cell volume: 1591.9 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No