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Information card for entry 4081539
Preview
Coordinates | 4081539.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3aS,7aS)-[(SFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid |
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Formula | C36 H39 Fe N2 O P Sn |
Calculated formula | C36 H39 Fe N2 O P Sn |
SMILES | [Fe]12345678([c]9%10[c]1(P1(=[O][Sn]9(c9ccccc9)(c9ccccc9)c9ccccc9)N([C@@H]9[C@@H](N1C)CCCC9)C)[cH]2[cH]3[cH]4%10)[cH]1[cH]8[cH]7[cH]6[cH]51 |
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 | 8.7793 ± 0.0004 Å |
b | 10.0243 ± 0.0004 Å |
c | 10.8791 ± 0.0005 Å |
α | 99.137 ± 0.004° |
β | 108.131 ± 0.004° |
γ | 111.422 ± 0.004° |
Cell volume | 805.86 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0362 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.05 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.855 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081539.html
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Users of the data should acknowledge the original authors of the
structural data.