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Information card for entry 4073442
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Coordinates | 4073442.cif |
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Original paper (by DOI) | HTML |
Common name | compound (R,S~p~)-8 |
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Chemical name | (R,S~p~)-3-[1-(N,N-Dimethylamino)ethyl]-1-hydroxymethyl-ferrocene |
Formula | C15 H21 Fe N O |
Calculated formula | C15 H21 Fe N O |
SMILES | [Fe]12345678([c]9([cH]1[c]2([cH]3[cH]49)CO)[C@H](N(C)C)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Bromide-Mediatedortho-Deprotonation in the Synthesis of Chiral, Nonracemic Ferrocene Derivatives |
Authors of publication | Steurer, Marianne; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 15 |
Pages of publication | 3850 |
a | 6.2478 ± 0.0004 Å |
b | 10.4688 ± 0.0006 Å |
c | 20.7139 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1354.83 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction 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 | 0.0208 |
Residual factor for significantly intense reflections | 0.0202 |
Weighted residual factors for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.0533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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