Information card for entry 7223934

Structure parameters

• Common name: CE(OH)2
• Formula: C22 H26 O7
• Calculated formula: C22 H26 O7
• SMILES: O1CCOCCOCCOCCOc2c3C(O)c4c(C(O)c3ccc2)cccc14
• Title of publication: A New Detection Mechanism involving Keto-Enol Tautomerization: Selective Fluorescence Detection of Al(III) by Dehydration of Secondary Alcohols in Mixed DMSO/Aqueous Media
• Authors of publication: Alaparthi, Madhubabu; Mariappan, Kadarkaraisamy; Dufek, Eric John; Hoffman, Mariah; Sykes, Andrew
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.7175 ± 0.0006 Å
• b: 13.5383 ± 0.0011 Å
• c: 18.6624 ± 0.0015 Å
• α: 90°
• β: 90.132 ± 0.001°
• γ: 90°
• Cell volume: 1949.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No