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Information card for entry 1554993
Preview
| Coordinates | 1554993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N O5 |
|---|---|
| Calculated formula | C14 H11 N O5 |
| SMILES | N1(c2ccccc2C2(OC(=O)O/C2=C/C(=O)C)C1=O)C |
| Title of publication | Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion |
| Authors of publication | Sun, Yao-Liang; Wei, Yin; Shi, Min |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2420 |
| a | 11.0859 ± 0.0016 Å |
| b | 9.2256 ± 0.0013 Å |
| c | 12.6525 ± 0.0018 Å |
| α | 90° |
| β | 101.245 ± 0.003° |
| γ | 90° |
| Cell volume | 1269.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238257 (current) | 2019-11-24 | cif/ Adding structures of 1554991, 1554992, 1554993 via cif-deposit CGI script. |
1554993.cif |
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Users of the data should acknowledge the original authors of the
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