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Information card for entry 7121274
Preview
| Coordinates | 7121274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H24 O4 |
|---|---|
| Calculated formula | C26 H24 O4 |
| SMILES | C1(C)(C)OC(=O)/C(=C(C)\C[C@H](c2ccccc2)c2cc3ccccc3cc2)C(=O)O1 |
| Title of publication | Pd(ii)-Catalyzed asymmetric 1,6-conjugate addition of arylboronic acids to Meldrum's acid-derived dienes. |
| Authors of publication | Chen, Song; Wu, Liang; Shao, Qihang; Yang, Guoqiang; Zhang, Wanbin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 20 |
| Pages of publication | 2522 - 2525 |
| a | 7.4823 ± 0.0003 Å |
| b | 13.0258 ± 0.0006 Å |
| c | 21.7018 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2115.12 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121274.cif |
| 228351 | 2019-11-17 | cif/ Updating files of 7121274 Original log message: Adding full bibliography for 7121274.cif. |
7121274.cif |
| 206402 | 2018-02-14 | cif/ Adding structures of 7121274 via cif-deposit CGI script. |
7121274.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.