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Information card for entry 7225234
Preview
| Coordinates | 7225234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H32 N2 O |
|---|---|
| Calculated formula | C38 H32 N2 O |
| SMILES | O=C(c1c(n(cc1C)c1nc(cc(c1C)c1ccc(cc1)C)c1ccccc1)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Base-Mediated Regiospecific Cascade Synthesis of N-(2-Pyridyl)pyrroles from N-Propargylic β-Enaminones |
| Authors of publication | Shen, Jinhai; Yang, Xifa; Wang, Fuyuan; Wang, Yue; Cheng, Guolin; Cui, Xiuling |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.3484 ± 0.0004 Å |
| b | 10.5999 ± 0.0004 Å |
| c | 27.2911 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2993.62 ± 0.18 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182931 (current) | 2016-05-13 | cif/ Adding structures of 7225233, 7225234 via cif-deposit CGI script. |
7225234.cif |
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