Information card for entry 7041207

Structure parameters

• Chemical name: 7-Chloro-4-[2-(N'-substituted aminomethyl)-N-ferrocenylmethyl-(aminopropyl)trimethylsilane]quinoline
• Formula: C27 H34 Cl Fe N3 Si
• Calculated formula: C27 H34 Cl Fe N3 Si
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19CNCCC[Si](C)(C)C)CNc1c2ccc(Cl)cc2ncc1)[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: 6.6872 ± 0.0006 Å
• b: 7.7098 ± 0.0007 Å
• c: 25.388 ± 0.002 Å
• α: 92.47 ± 0.001°
• β: 94.337 ± 0.002°
• γ: 95.214 ± 0.002°
• Cell volume: 1298.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No