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Information card for entry 1515695
Preview
Coordinates | 1515695.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 Fe N O |
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Calculated formula | C20 H17 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)\c2ccccc2N1C |
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 | 17.4825 ± 0.0005 Å |
b | 7.342 ± 0.0002 Å |
c | 23.1152 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2966.99 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1399 |
Residual factor for significantly intense reflections | 0.0871 |
Weighted residual factors for significantly intense reflections | 0.1426 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
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/1515695.html
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Users of the data should acknowledge the original authors of the
structural data.