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Information card for entry 1555351
Preview
| Coordinates | 1555351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 O6 |
|---|---|
| Calculated formula | C25 H22 O6 |
| SMILES | c1(ccccc1)c1c(c(c(c(c2ccccc2)c1)C(=O)OC)C(=O)OC)C(=O)OCC |
| Title of publication | Transition-Metal-Free Multicomponent Benzannulation Reactions for the Construction of Polysubstituted Benzene Derivatives. |
| Authors of publication | Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Wu, An-Xin |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5216 - 5219 |
| a | 10.167 ± 0.0017 Å |
| b | 11.5366 ± 0.0019 Å |
| c | 11.951 ± 0.002 Å |
| α | 68.165 ± 0.002° |
| β | 67.543 ± 0.002° |
| γ | 79.903 ± 0.003° |
| Cell volume | 1201.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1885 |
| Weighted residual factors for all reflections included in the refinement | 0.2095 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238532 (current) | 2019-11-24 | cif/ Adding structures of 1555351 via cif-deposit CGI script. |
1555351.cif |
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Users of the data should acknowledge the original authors of the
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