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Information card for entry 7230578
Preview
| Coordinates | 7230578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 O4 |
|---|---|
| Calculated formula | C12 H14 O4 |
| Title of publication | Co-catalysis over a bi-functional ligand-based Pd-catalyst for tandem bis-alkoxycarbonylation of terminal alkynes |
| Authors of publication | Yang, Da; Liu, Huan; Wang, Dong-Liang; Luo, Zhoujie; Lu, Yong; Xia, Fei; Liu, Ye |
| Journal of publication | Green Chemistry |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 11 |
| Pages of publication | 2588 |
| a | 5.8802 ± 0.0004 Å |
| b | 25.3608 ± 0.0019 Å |
| c | 8.2156 ± 0.0006 Å |
| α | 90° |
| β | 109.663 ± 0.002° |
| γ | 90° |
| Cell volume | 1153.72 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230123 (current) | 2019-11-17 | cif/ Updating files of 7230578 Original log message: Adding full bibliography for 7230578.cif. |
7230578.cif |
| 207647 | 2018-05-03 | cif/ Adding structures of 7230578 via cif-deposit CGI script. |
7230578.cif |
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