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Information card for entry 7041208
Preview
Coordinates | 7041208.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 7-Chloro-4-[2-(N'-substituted aminomethyl)-N-ferrocenylmethyl-(amino-2,2?-dimethylpropyl)]quinoline |
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Formula | C26 H30 Cl Fe N3 |
Calculated formula | C26 H30 Cl Fe N3 |
SMILES | [Fe]12345678([c]9(CNc%10c%11ccc(Cl)cc%11ncc%10)[c]1([cH]2[cH]3[cH]49)CNCC(C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Bioisosteric ferrocenyl-containing quinolines with antiplasmodial and antitrichomonal properties. |
Authors of publication | Adams, Muneebah; Stringer, Tameryn; de Kock, Carmen; Smith, Peter J.; Land, Kirkwood M.; Liu, Nicole; Tam, Christina; Cheng, Luisa W.; Njoroge, Mathew; Chibale, Kelly; Smith, Gregory S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 47 |
Pages of publication | 19086 - 19095 |
a | 8.6284 ± 0.0012 Å |
b | 10.9159 ± 0.0015 Å |
c | 26.353 ± 0.004 Å |
α | 83.68 ± 0.003° |
β | 84.639 ± 0.003° |
γ | 73.336 ± 0.003° |
Cell volume | 2358.4 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.075 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7041208.html
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Users of the data should acknowledge the original authors of the
structural data.