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Information card for entry 4107976
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Coordinates | 4107976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H23 Fe |
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Calculated formula | C14 H23 Fe |
SMILES | [Fe]123456([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)([CH2]=[CH2]5)[CH2]=[CH2]6 |
Title of publication | Preparation, Structure, and Reactivity of Nonstabilized Organoiron Compounds. Implications for Iron-Catalyzed Cross Coupling Reactions |
Authors of publication | Alois Fürstner; Rubén Martin; Helga Krause; Günter Seidel; Richard Goddard; Christian W. Lehmann |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 8773 - 8787 |
a | 12.5561 ± 0.0005 Å |
b | 7.3323 ± 0.0003 Å |
c | 14.7157 ± 0.0006 Å |
α | 90° |
β | 108.352 ± 0.001° |
γ | 90° |
Cell volume | 1285.9 ± 0.09 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0685 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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