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Information card for entry 4324310
Preview
Coordinates | 4324310.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H13 N3 O6 |
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Calculated formula | C12 H13 N3 O6 |
SMILES | c1(cc(ccc1N/N=C(/C(=O)C)C(=O)OCC)N(=O)=O)O |
Title of publication | Ortho-Hydroxyphenylhydrazo-β-Diketones: Tautomery, Coordination Ability, and Catalytic Activity of Their Copper(II) Complexes toward Oxidation of Cyclohexane and Benzylic Alcohols |
Authors of publication | Maximilian N. Kopylovich; Kamran T. Mahmudov; M. Fátima C. Guedes da Silva; PaweÅ‚ J. Figiel; Yauhen Yu. Karabach; Maxim L. Kuznetsov; Konstantin V. Luzyanin; Armando J. L. Pombeiro |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 918 - 931 |
a | 22.4633 ± 0.0005 Å |
b | 13.0385 ± 0.0013 Å |
c | 4.699 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1376.3 ± 0.6 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1919 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1522 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
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/4324310.html
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