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Information card for entry 7150513
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Coordinates | 7150513.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Arene chromium complex |
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Formula | C14 H16 Cr O6 |
Calculated formula | C14 H16 Cr O6 |
SMILES | [Cr]12345(C#[O])(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[cH]4[c]56C(OC)OC)C(O)C |
Title of publication | Chelation-control in nucleophilic addition to Cr(CO)3-complexed aryl aldehydesElectronic supplementary information (ESI) available: 1) 200 and 300 MHz 1H NMR spectra of selected compounds; 2) Crystallographic tables of bond angles, bond lengths, torsional angles etc. for compounds 3a and 3a?. See http://www.rsc.org/suppdata/ob/b3/b301426f/ |
Authors of publication | Kumar Tipparaju, Suresh; Puranik, Vedavati G.; Sarkar, Amitabha |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2003 |
Journal volume | 1 |
Journal issue | 10 |
Pages of publication | 1720 |
a | 13.6389 ± 0.0013 Å |
b | 8.9939 ± 0.0011 Å |
c | 13.7401 ± 0.0014 Å |
α | 90° |
β | 113.594 ± 0.007° |
γ | 90° |
Cell volume | 1544.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.7093 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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