Information card for entry 7233453

Structure parameters

• Formula: C42 H36 N4 O3
• Calculated formula: C42 H36 N4 O3
• SMILES: c1ccccc1/C(=C/c1ccc(cc1)NC(=O)c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ccc(cc1)/C=C(\C#N)c1ccccc1)C#N.O
• Title of publication: Supramolecular organogels and nanowires based on a V-shaped cyanostilbene amide derivative with aggregation-induced emission (AIE) properties
• Authors of publication: Yuping Zhang; Chunshuang Liang; Hongxing Shang; Yao Ma; Shimei Jiang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 4472 - 4480
• a: 20.669 ± 0.008 Å
• b: 6.745 ± 0.002 Å
• c: 24.891 ± 0.011 Å
• α: 90°
• β: 102.363 ± 0.014°
• γ: 90°
• Cell volume: 3390 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1542
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No