Information card for entry 7112477

Structure parameters

• Formula: C54 H80 Cl6 N6 O14
• Calculated formula: C54 H80 Cl6 N6 O14
• SMILES: c12c3ccccc3c(c3ccccc13)CNCCN(CCNCc1c3ccccc3c(c3ccccc13)CNCCN(CCNC2)CCO)CCO.OC(=O)C.OC(=O)C.C(Cl)(Cl)Cl.O.O.OC(=O)C.OC(=O)C.C(Cl)(Cl)Cl.O.O
• Title of publication: A turn-on fluorescent Fe3+ sensor derived from an anthracene-bearing bisdiene macrocycle and its intracellular imaging application
• Authors of publication: Lin Qiu; Chengcheng Zhu; Huachao Chen; Ming Hu; Weijiang He; Zijian Guo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4631
• a: 10.557 ± 0.0008 Å
• b: 12.6918 ± 0.0009 Å
• c: 12.8872 ± 0.0009 Å
• α: 111.743 ± 0.001°
• β: 96.693 ± 0.001°
• γ: 95.449 ± 0.001°
• Cell volume: 1575 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No