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Information card for entry 4073057
Preview
Coordinates | 4073057.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (pR)-N,N-Diisopropyl-2-(4,4,5,5-tetramethyl-[1,3,2]- dioxaborolan-2-yl)-ferrocencarboxamide |
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Formula | C23 H34 B Fe N O3 |
Calculated formula | C23 H34 B Fe N O3 |
Title of publication | Synthesis and Structure of Planar Chiral, Bifunctional Aminoboronic Acid Ferrocene Derivatives |
Authors of publication | Batsanov, Andrei S.; Hérault, Damien; Howard, Judith A. K.; Patrick, Leonard G. F.; Probert, Michael R.; Whiting, Andrew |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 9 |
Pages of publication | 2414 |
a | 7.306 ± 0.003 Å |
b | 10.185 ± 0.004 Å |
c | 15.601 ± 0.006 Å |
α | 90° |
β | 97.45 ± 0.03° |
γ | 90° |
Cell volume | 1151.1 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1862 |
Residual factor for significantly intense reflections | 0.1146 |
Weighted residual factors for significantly intense reflections | 0.2718 |
Weighted residual factors for all reflections included in the refinement | 0.3207 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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