Information card for entry 7219291

Structure parameters

• Formula: C42 H30 N4
• Calculated formula: C42 H30 N4
• SMILES: N#CC(=Cc1ccc(C2=C(C(c3c2cccc3)(C)C)C2=C(c3ccccc3C2(C)C)c2ccc(cc2)C=C(C#N)C#N)cc1)C#N
• Title of publication: Highly sensitive detection of low-level water contents in organic solvents and cyanide in aqueous media using novel solvatochromic AIEE fluorophores
• Authors of publication: chen, wei; Zhang, Zhiyun; Li, Xin; Agren, Hans; Su, Jian-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 17.624 ± 0.004 Å
• b: 13.658 ± 0.003 Å
• c: 14.035 ± 0.003 Å
• α: 90°
• β: 108.504 ± 0.004°
• γ: 90°
• Cell volume: 3203.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No