Information card for entry 7059970

Structure parameters

• Formula: C19 H19 Fe N O2
• Calculated formula: C19 H19 Fe N O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)N(C)C(=O)c1cccc(c1)OC
• Title of publication: Iodoferrocene as a partner in N-arylation of amides
• Authors of publication: Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 15928 - 15941
• a: 8.9424 ± 0.0005 Å
• b: 9.3918 ± 0.0006 Å
• c: 18.8587 ± 0.0012 Å
• α: 90°
• β: 94.385 ± 0.002°
• γ: 90°
• Cell volume: 1579.22 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No