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Information card for entry 1553885
Preview
| Coordinates | 1553885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 Cl2 O2 |
|---|---|
| Calculated formula | C15 H12 Cl2 O2 |
| SMILES | Clc1ccccc1CC(C(=O)O)c1ccc(Cl)cc1 |
| Title of publication | An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes |
| Authors of publication | Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | 561 |
| a | 6.059 ± 0.0012 Å |
| b | 8.893 ± 0.0018 Å |
| c | 13.346 ± 0.003 Å |
| α | 91.59 ± 0.03° |
| β | 93.75 ± 0.03° |
| γ | 108.42 ± 0.03° |
| Cell volume | 679.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1484 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236123 (current) | 2019-11-24 | cif/ Adding structures of 1553885, 1553886 via cif-deposit CGI script. |
1553885.cif |
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Users of the data should acknowledge the original authors of the
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