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Information card for entry 1554806
Preview
| Coordinates | 1554806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 O4 |
|---|---|
| Calculated formula | C13 H12 O4 |
| Title of publication | Cu(II)-catalyzed coupling of aromatic C-H bonds with malonates. |
| Authors of publication | Wang, Hong-Li; Shang, Ming; Sun, Shang-Zheng; Zhou, Zeng-Le; Laforteza, Brian N.; Dai, Hui-Xiong; Yu, Jin-Quan |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 1228 - 1231 |
| a | 10.5408 ± 0.0012 Å |
| b | 14.0223 ± 0.0015 Å |
| c | 15.567 ± 0.0017 Å |
| α | 90° |
| β | 95.216 ± 0.002° |
| γ | 90° |
| Cell volume | 2291.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0837 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238129 (current) | 2019-11-24 | cif/ Adding structures of 1554806 via cif-deposit CGI script. |
1554806.cif |
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