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Information card for entry 4037294
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Coordinates | 4037294.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H25 Br O3 Si |
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Calculated formula | C29 H25 Br O3 Si |
SMILES | Brc1ccc(C(C(=C)C(=O)OC)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
Title of publication | Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols. |
Authors of publication | Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 20 |
Pages of publication | 10035 - 10042 |
a | 19.289 ± 0.004 Å |
b | 11.081 ± 0.002 Å |
c | 23.943 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5117.6 ± 1.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0749 |
Residual factor for significantly intense reflections | 0.0403 |
Weighted residual factors for significantly intense reflections | 0.1003 |
Weighted residual factors for all reflections included in the refinement | 0.135 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4037294.html
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