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Information card for entry 4081536
Preview
Coordinates | 4081536.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3aS,7aS)-2-Ferrocenyl-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl- 1,3,2-benzodiaza-phosphol)-2-oxid |
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Formula | C18 H25 Fe N2 O P |
Calculated formula | C18 H25 Fe N2 O P |
SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P1(=O)N([C@@H]2[C@@H](N1C)CCCC2)C)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives |
Authors of publication | Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5906 |
a | 6.0784 ± 0.0002 Å |
b | 11.3791 ± 0.0004 Å |
c | 24.8126 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1716.21 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0295 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0569 |
Weighted residual factors for all reflections included in the refinement | 0.058 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.833 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081536.html
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