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Information card for entry 7220493
Preview
| Coordinates | 7220493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 N2 O3 |
|---|---|
| Calculated formula | C30 H24 N2 O3 |
| SMILES | O(c1ccc(cc1)c1cccc(c1C(=O)Nc1cccc2c1nccc2)c1ccc(OC)cc1)C |
| Title of publication | Step economical synthesis of o-aryl benzamides via C-H activation relayed by the in situ installation of directing group: a multicomponent method |
| Authors of publication | Liu, Yunyun; Zhang, Yi; Huang, Meiying; Wan, Jie-Ping |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.8035 ± 0.0018 Å |
| b | 10.76 ± 0.002 Å |
| c | 13.898 ± 0.003 Å |
| α | 94.58 ± 0.03° |
| β | 100.59 ± 0.03° |
| γ | 110.38 ± 0.03° |
| Cell volume | 1198.2 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 136942 (current) | 2015-05-19 | cif/ Adding structures of 7220493 via cif-deposit CGI script. |
7220493.cif |
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