Information card for entry 7111944

Structure parameters

• Formula: C26 H32 N4 O2
• Calculated formula: C26 H32 N4 O2
• SMILES: OC(C#Cc1c(/N=N/c2c(N)cc(N)cc2)c(cc(c1)C(C)(C)C)C#CC(O)(C)C)(C)C
• Title of publication: An unusual OFF-ON fluorescence sensor for detecting mercury ions in aqueous media and living cells
• Authors of publication: Maozhong Tian; Libing Liu; Yongjun Li; Ruifeng Hu; Taifeng Liu; Huibiao Liu; Shu Wang; Yuliang Li
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2055
• a: 11.7693 ± 0.0005 Å
• b: 19.6839 ± 0.001 Å
• c: 22.7064 ± 0.0007 Å
• α: 112.09 ± 0.004°
• β: 90.068 ± 0.003°
• γ: 99.006 ± 0.004°
• Cell volume: 4803.7 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1106
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No