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Information card for entry 4081504
Preview
Coordinates | 4081504.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H19 Fe N3 O2 |
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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 Å3 |
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 |
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