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Information card for entry 1515696
Preview
Coordinates | 1515696.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H14 Br Fe N O |
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Calculated formula | C19 H14 Br Fe N O |
SMILES | C1(=O)/C(=C/[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)c2cc(ccc2N1)Br |
Title of publication | Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors. |
Authors of publication | Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew |
Journal of publication | Metallomics : integrated biometal science |
Year of publication | 2011 |
Journal volume | 3 |
Journal issue | 6 |
Pages of publication | 600 - 608 |
a | 30.9574 ± 0.0011 Å |
b | 16.257 ± 0.0004 Å |
c | 7.4078 ± 0.0003 Å |
α | 90° |
β | 101.757 ± 0.002° |
γ | 90° |
Cell volume | 3649.9 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0891 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.122 |
Weighted residual factors for all reflections included in the refinement | 0.1326 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1515696.html
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Users of the data should acknowledge the original authors of the
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