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Information card for entry 4038870
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Coordinates | 4038870.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,10-Di(4?-methylbenzyl)-3,8,12,17-(RSSR)-tetra(pyridine-2?-yl)-3,8,12,17- tetraoxo-1,10-diaza?3,8,12,17?tetraphosphacyclooctadecane |
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Formula | C24 H29 N3 O2 P2 |
Calculated formula | C24 H29 N3 O2 P2 |
Title of publication | Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes. |
Authors of publication | Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 10.11 ± 0.03 Å |
b | 11.896 ± 0.016 Å |
c | 12.699 ± 0.017 Å |
α | 113.23 ± 0.016° |
β | 104.32 ± 0.02° |
γ | 98.18 ± 0.02° |
Cell volume | 1310 ± 5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2882 |
Residual factor for significantly intense reflections | 0.0788 |
Weighted residual factors for significantly intense reflections | 0.1697 |
Weighted residual factors for all reflections included in the refinement | 0.2549 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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