Information card for entry 7019072

Structure parameters

• Formula: C23 H24 Cl Fe N3
• Calculated formula: C23 H24 Cl Fe N3
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)CNCCCNc1ccnc2cc(ccc12)Cl
• Title of publication: 1,2-Disubstituted ferrocenyl carbohydrate chloroquine conjugates as potential antimalarial agents.
• Authors of publication: Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; de Kock, Carmen; Smith, Peter J.; Adam, Michael J.; Orvig, Chris
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 6431 - 6442
• a: 16.4175 ± 0.0016 Å
• b: 10.2011 ± 0.001 Å
• c: 12.6323 ± 0.0012 Å
• α: 90°
• β: 108.828 ± 0.004°
• γ: 90°
• Cell volume: 2002.4 ± 0.3 ų
• Cell temperature: 103 ± 0.1 K
• Ambient diffraction temperature: 103 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No