Information card for entry 7017064

Structure parameters

• Formula: C21 H21 N3 O4
• Calculated formula: C21 H21 N3 O4
• SMILES: c1(ccccc1C(=O)N/N=C/c1cc2c(cc(cc2)N(CC)CC)oc1=O)O
• Title of publication: Cu(2+)-selective fluorescent chemosensor based on coumarin and its application in bioimaging.
• Authors of publication: Huang, Liang; Cheng, Ju; Xie, Kefeng; Xi, Pinxian; Hou, Fengping; Li, Zhengpeng; Xie, Guoqiang; Shi, Yanjun; Liu, Hongyan; Bai, Decheng; Zeng, Zhengzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10815 - 10817
• a: 8.358 ± 0.003 Å
• b: 10.068 ± 0.003 Å
• c: 11.971 ± 0.004 Å
• α: 89.947 ± 0.003°
• β: 85.21 ± 0.003°
• γ: 67.715 ± 0.003°
• Cell volume: 928.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No