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Information card for entry 4081544
Preview
Coordinates | 4081544.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (3aR,7aR)-[(RFc)-(2-Monofluoridodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid |
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Formula | C33 H40 F Fe N2 O2 P Sn |
Calculated formula | C30 H34 F Fe N2 O P Sn |
SMILES | [Sn]1(F)([O]=P2([c]34[Fe]56789%10%11([c]13[cH]7[cH]6[cH]45)[cH]1[cH]8[cH]9[cH]%10[cH]%111)N([C@H]1[C@H](N2C)CCCC1)C)(c1ccccc1)c1ccccc1 |
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 | 9.7724 ± 0.0002 Å |
b | 15.4943 ± 0.0004 Å |
c | 20.6467 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3126.25 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0287 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0532 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.812 |
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/4081544.html
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Users of the data should acknowledge the original authors of the
structural data.