Information card for entry 7028420

Structure parameters

• Formula: C27.5 H27.5 Al Cl1.5 O9
• Calculated formula: C27.5 H27.5 Al Cl1.5 O9
• SMILES: C1(c2c(cc(OC)cc2)O[Al]23([O]=1)([O]=C(c1ccc(cc1O2)OC)C)[O]=C(c1ccc(cc1O3)OC)C)C.ClC(Cl)Cl
• Title of publication: A simple coumarin as a turn-on fluorescence sensor for Al(iii) ions.
• Authors of publication: Li, Tianrong; Fang, Ran; Wang, Baodui; Shao, Yongliang; Liu, Jian; Zhang, Shouting; Yang, Zhengyin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2741 - 2743
• a: 13.709 ± 0.0005 Å
• b: 13.709 ± 0.0005 Å
• c: 52.4235 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8532.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No