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Information card for entry 7129605
Preview
| Coordinates | 7129605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | methyl 6-((2-oxo-2H-chromen-4-yl)oxy)-3-((triisopropylsilyl)ethynyl)hexanoate |
|---|---|
| Formula | C27 H38 O5 Si |
| Calculated formula | C27 H38 O5 Si |
| Title of publication | Palladium-Catalyzed Intermolecular Alkynylcarbonylation of Unactivated Alkenes: Easy Access to β-Alkynylcarboxylic Esters |
| Authors of publication | Li, Xiang; Chen, Pinhong; Liu, Guosheng |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 13.9071 ± 0.001 Å |
| b | 14.914 ± 0.0012 Å |
| c | 16.1401 ± 0.0013 Å |
| α | 109.976 ± 0.002° |
| β | 113.932 ± 0.002° |
| γ | 98.587 ± 0.002° |
| Cell volume | 2709.4 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.1962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272205 (current) | 2022-01-23 | cif/ Adding structures of 7129605 via cif-deposit CGI script. |
7129605.cif |
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Users of the data should acknowledge the original authors of the
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