Information card for entry 4081504

Structure parameters

• Formula: C24 H19 Fe N3 O2
• Calculated formula: C24 H19 Fe N3 O2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=O)Nc1cc2\C(C(=O)Nc2cc1)=C/c1ccc[nH]1
• Title of publication: Synthesis of Oxindole-Based Bioorganometallic Kinase Inhibitors Incorporating One or More Ferrocene Groups
• Authors of publication: Amin, Jahangir; Chuckowree, Irina S.; Wang, Minghua; Tizzard, Graham J.; Coles, Simon J.; Spencer, John
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5818
• a: 16.699 ± 0.012 Å
• b: 5.615 ± 0.004 Å
• c: 40.11 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3761 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1638
• Residual factor for significantly intense reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.3059
• Weighted residual factors for all reflections included in the refinement: 0.348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No