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Information card for entry 4081503
Preview
Coordinates | 4081503.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H24 Fe2 N2 O2 |
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Calculated formula | C30 H24 Fe2 N2 O2 |
SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C=C1c2cc(ccc2NC1=O)NC(=O)[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
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 | 11.8202 ± 0.0006 Å |
b | 13.7547 ± 0.0007 Å |
c | 15.6626 ± 0.0005 Å |
α | 89.296 ± 0.003° |
β | 75.583 ± 0.003° |
γ | 81.601 ± 0.002° |
Cell volume | 2439.1 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1567 |
Residual factor for significantly intense reflections | 0.0911 |
Weighted residual factors for significantly intense reflections | 0.1519 |
Weighted residual factors for all reflections included in the refinement | 0.1809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081503.html
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Users of the data should acknowledge the original authors of the
structural data.