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Information card for entry 1542389
Preview
| Coordinates | 1542389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 N |
|---|---|
| Calculated formula | C27 H21 N |
| SMILES | CCc1cc(c2cc3ccccc3cc2)nc(c1)c1ccc2ccccc2c1 |
| Title of publication | Molecular Iodine-Mediated Chemoselective Synthesis of Multisubstituted Pyridines through Catabolism and Reconstruction Behavior of Natural Amino Acids. |
| Authors of publication | Xiang, Jia-Chen; Wang, Miao; Cheng, Yan; Wu, An-Xin |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 24 - 27 |
| a | 9.829 ± 0.002 Å |
| b | 17.878 ± 0.004 Å |
| c | 11.147 ± 0.002 Å |
| α | 90° |
| β | 102.8 ± 0.004° |
| γ | 90° |
| Cell volume | 1910.1 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.113 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175749 (current) | 2016-02-04 | cif/ Adding structures of 1542389 via cif-deposit CGI script. |
1542389.cif |
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