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Information card for entry 1555827
Preview
| Coordinates | 1555827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H15 N O |
|---|---|
| Calculated formula | C23 H15 N O |
| SMILES | n1(c(c2c3ccccc3C(=O)c2c1)c1ccccc1)c1ccccc1 |
| Title of publication | Metal/Benzoyl Peroxide (BPO)-Controlled Chemoselective Cycloisomerization of (o-Alkynyl)phenyl Enaminones: Synthesis of α-Naphthylamines and Indeno[1,2-c]pyrrolones. |
| Authors of publication | Zhang, Fangfang; Qin, Zhengchen; Kong, Lingkai; Zhao, Yulei; Liu, Yuanyuan; Li, Yanzhong |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 5150 - 5153 |
| a | 8.542 ± 0.003 Å |
| b | 10.786 ± 0.004 Å |
| c | 18.502 ± 0.007 Å |
| α | 90° |
| β | 102.652 ± 0.007° |
| γ | 90° |
| Cell volume | 1663.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555827.cif |
| 239155 | 2019-11-24 | cif/ Adding structures of 1555827 via cif-deposit CGI script. |
1555827.cif |
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Users of the data should acknowledge the original authors of the
structural data.