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Information card for entry 2101612
Preview
Coordinates | 2101612.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (N-(6-phenanthridinylmethyl)-aza-18-crown-6)(picrato-O,O')potassium |
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Formula | C32 H36 K N5 O12 |
Calculated formula | C32 H36 K N5 O12 |
Title of publication | Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate |
Authors of publication | Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 5 |
Pages of publication | 823 - 837 |
a | 9.189 ± 0.001 Å |
b | 11.786 ± 0.002 Å |
c | 15.805 ± 0.002 Å |
α | 83.39 ± 0.01° |
β | 88.29 ± 0.01° |
γ | 75.78 ± 0.01° |
Cell volume | 1648.2 ± 0.4 Å3 |
Cell temperature | 295 ± 3 K |
Ambient diffraction temperature | 295 ± 3 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 significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.04 |
Goodness-of-fit parameter for significantly intense reflections | 0.73 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2101612.html
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structural data.