Information card for entry 7015964

Structure parameters

• Formula: C34 H35 N5 O2
• Calculated formula: C34 H35 N5 O2
• SMILES: O1c2cc(NCC)c(cc2C2(c3c1cc(c(c3)C)NCC)N(C(=O)c1c2cccc1)CC/N=C/c1ncccc1)C
• Title of publication: A turn-on chemosensor for Hg(2+) in aqueous media and its application in "MCT" imaging in living cells.
• Authors of publication: Xi, Pinxian; Huang, Liang; Xie, Guoqiang; Chen, Fengjuan; Xu, Zhihong; Bai, Decheng; Zeng, Zhengzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6382 - 6384
• a: 11.9605 ± 0.0013 Å
• b: 16.5826 ± 0.0019 Å
• c: 14.5928 ± 0.0016 Å
• α: 90°
• β: 95.819 ± 0.002°
• γ: 90°
• Cell volume: 2879.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0753
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No