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Information card for entry 1506665
Preview
Coordinates | 1506665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H32 Fe N2 O |
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Calculated formula | C34 H32 Fe N2 O |
SMILES | [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)C(O)(c1ccccc1)c1ccccc1)C1N(C)[C@H]([C@H](N=1)c1ccccc1)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive. |
Authors of publication | Peters, René; Fischer, Daniel F. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 19 |
Pages of publication | 4137 - 4140 |
a | 9.8803 ± 0.0002 Å |
b | 13.2759 ± 0.0002 Å |
c | 20.8422 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2733.87 ± 0.09 Å3 |
Cell temperature | 173.2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1221 |
Weighted residual factors for all reflections included in the refinement | 0.1324 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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