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Information card for entry 7111297
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Coordinates | 7111297.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (R)-Tricarbonyl[(eta6-4a,5,6,7,8,8a)-1-tert.butyldimethylsilyloxy-2,3-diethyl-4-methoxynaphthalene]chromium(0) |
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Formula | C24 H32 Cr O5 Si |
Calculated formula | C24 H32 Cr O5 Si |
SMILES | [Cr]12345(C#[O])(C#[O])(C#[O])[c]67c(c(c(c([c]57[cH]4[cH]3[cH]2[cH]16)O[Si](C)(C)C(C)(C)C)CC)CC)OC |
Title of publication | Controlled haptotropic rearrangements ‒ towards a stereospecific molecular switch based on chiral arene chromium complexes |
Authors of publication | Jahr, Holger C.; Nieger, Martin; Heinz Dötz, Karl |
Journal of publication | Chemical Communications |
Year of publication | 2003 |
Journal issue | 23 |
Pages of publication | 2866 |
a | 10.4375 ± 0.0001 Å |
b | 10.4375 ± 0.0001 Å |
c | 39.4397 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3720.98 ± 0.06 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 170 |
Hermann-Mauguin space group symbol | P 65 |
Hall space group symbol | P 65 |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0545 |
Weighted residual factors for all reflections included in the refinement | 0.057 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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