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Information card for entry 4068714
Preview
Coordinates | 4068714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H25 N3 O3 Si |
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Calculated formula | C34 H25 N3 O3 Si |
SMILES | [Si@]123(Oc4ccccc4[C@H](N2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)C#N)c1ccccc1.[Si@@]123(Oc4ccccc4[C@@H](N2c2ccccc2[N]3=C(c2c(O1)cc(OC)cc2)c1ccccc1)C#N)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 | 13.0425 ± 0.0007 Å |
b | 10.0955 ± 0.0005 Å |
c | 20.613 ± 0.0011 Å |
α | 90° |
β | 95.221 ± 0.002° |
γ | 90° |
Cell volume | 2702.9 ± 0.2 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0752 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.0963 |
Weighted residual factors for all reflections included in the refinement | 0.1057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4068714.cif |
132559 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "glued" strings " ===END' from the values of '_refine_diff_density_rms' for 43 CIFs in range 4. |
4068714.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068714.cif |
39940 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068706, 4068707, 4068708, 4068709, 4068710, 4068711, 4068712, 4068713, 4068714, 4068715 via cif-deposit CGI script. |
4068714.cif |
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Users of the data should acknowledge the original authors of the
structural data.