Information card for entry 7105324

Structure parameters

• Formula: C42 H45 N4 O9 S2
• Calculated formula: C42 H45 N4 O9 S2
• SMILES: [NH+](=c1cc2Oc3c(C(=c2cc1C)c1c(cccc1)C(=O)[NH2+]CCN)cc(c(NCC)c3)C)CC.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.O
• Title of publication: A novel strategy to selectively detect Fe(III) in aqueous media driven by hydrolysis of a rhodamine 6G Schiff base.
• Authors of publication: Lee, Min Hee; Giap, Thang Van; Kim, Sang Hoon; Lee, Young Hoon; Kang, Chulhun; Kim, Jong Seung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 1407 - 1409
• a: 12.036 ± 0.005 Å
• b: 13.718 ± 0.005 Å
• c: 14.809 ± 0.006 Å
• α: 103.902 ± 0.007°
• β: 99.066 ± 0.007°
• γ: 114.803 ± 0.006°
• Cell volume: 2059.8 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1618
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No