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Information card for entry 4518733
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Coordinates | 4518733.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H24 Cu N2 O4 |
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Calculated formula | C28 H24 Cu N2 O4 |
Title of publication | Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4 |
Authors of publication | Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo |
Journal of publication | ACS Omega |
Year of publication | 2021 |
Journal volume | 6 |
Journal issue | 21 |
Pages of publication | 13704 - 13718 |
a | 24.8417 ± 0.0006 Å |
b | 14.2633 ± 0.0004 Å |
c | 17.1697 ± 0.0004 Å |
α | 90° |
β | 128.915 ± 0.001° |
γ | 90° |
Cell volume | 4733.6 ± 0.2 Å3 |
Cell temperature | 100.02 K |
Ambient diffraction temperature | 100.02 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0291 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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