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Information card for entry 7105668
Preview
| Coordinates | 7105668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (R*)-5-((S*)-1-(1,3-Dioxolan-2-yl)-3-methylbutan-2-yl)-3- bromofuran-2(5H)-one |
|---|---|
| Chemical name | (R*)-5-((S*)-1-(1,3-Dioxolan-2-yl)-3-methylbutan-2-yl)-3-bromofuran-2(5H)-one |
| Formula | C12 H17 Br O4 |
| Calculated formula | C12 H17 Br O4 |
| SMILES | BrC1=C[C@@H]([C@@H](CC2OCCO2)C(C)C)OC1=O.BrC1=C[C@H]([C@H](CC2OCCO2)C(C)C)OC1=O |
| Title of publication | 1,4-Addition of silicon dienoates to α,Î^2^-unsaturated aldehydes catalyzed by in situ-generated silicon Lewis acid |
| Authors of publication | HikaruYanai; Arata Takahashi; Takeo Taguchi |
| Journal of publication | Chem.Commun. |
| Year of publication | 2010 |
| Journal volume | 46 |
| Pages of publication | 8728 |
| a | 9.858 ± 0.0019 Å |
| b | 15.388 ± 0.003 Å |
| c | 9.3551 ± 0.0018 Å |
| α | 90° |
| β | 116.254 ± 0.002° |
| γ | 90° |
| Cell volume | 1272.7 ± 0.4 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180160 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/56. |
7105668.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7105668.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7105668.cif |
| 11789 | 2011-02-22 | cif/7/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
7105668.cif |
| 3821 | 2010-11-24 | ../uploads/cif-deposit/cod/cif Adding structures of 7105668, 7105669 via cif-deposit CGI script. |
7105668.cif |
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