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Information card for entry 7223934
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Coordinates | 7223934.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | CE(OH)2 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7223934.html
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Users of the data should acknowledge the original authors of the
structural data.