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Information card for entry 4068712
Preview
Coordinates | 4068712.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 N2 O4 Si |
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Calculated formula | C40 H32 N2 O4 Si |
SMILES | [Si@@]123(Oc4cc(OC)ccc4[C@H](N2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)c1ccccc1)c1ccccc1.[Si@]123(Oc4cc(OC)ccc4[C@@H](N2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems |
Authors of publication | Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 2 |
Pages of publication | 621 |
a | 18.6908 ± 0.0004 Å |
b | 17.3692 ± 0.0004 Å |
c | 19.7167 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6400.9 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0629 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.1098 |
Weighted residual factors for all reflections included in the refinement | 0.1205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/4068712.html
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Users of the data should acknowledge the original authors of the
structural data.