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Information card for entry 2016575
Preview
Coordinates | 2016575.cif |
---|---|
Structure factors | 2016575.hkl |
Original IUCr paper | HTML |
Chemical name | {η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7- trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2- yloxy}benzene}tricarbonylchromium |
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Formula | C22 H26 Cr O6 |
Calculated formula | C22 H26 Cr O6 |
SMILES | [Cr]12345([c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)O[C@@H]1C2(OCCO2)[C@H]2CC[C@@]1(C2(C)C)C)(C#[O])(C#[O])C#[O] |
Title of publication | 1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(η^6^-1-methyl-4-{spiro[(1<i>R</i>,2<i>S</i>)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium |
Authors of publication | Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, Nathalie M.; Pinkerton, A. Alan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 4 |
Pages of publication | m147 - m148 |
a | 7.9484 ± 0.0007 Å |
b | 13.6135 ± 0.0011 Å |
c | 9.5596 ± 0.0008 Å |
α | 90° |
β | 93.026 ± 0.003° |
γ | 90° |
Cell volume | 1032.96 ± 0.15 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.045 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0886 |
Weighted residual factors for all reflections included in the refinement | 0.0899 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2016575.html
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Users of the data should acknowledge the original authors of the
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