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Information card for entry 1555154
Preview
| Coordinates | 1555154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 Cl N2 |
|---|---|
| Calculated formula | C14 H11 Cl N2 |
| SMILES | Clc1n2ccccc2nc1c1ccc(cc1)C |
| Title of publication | Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines. |
| Authors of publication | Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 3998 - 4001 |
| a | 15.4081 ± 0.0005 Å |
| b | 7.7461 ± 0.0003 Å |
| c | 19.9246 ± 0.0006 Å |
| α | 90° |
| β | 98.208 ± 0.003° |
| γ | 90° |
| Cell volume | 2353.69 ± 0.14 Å3 |
| Cell temperature | 571 ± 2 K |
| Ambient diffraction temperature | 571 ± 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275434 (current) | 2022-05-16 | cif/1 Fixing some Z values and formulae |
1555154.cif |
| 238352 | 2019-11-24 | cif/ Adding structures of 1555154 via cif-deposit CGI script. |
1555154.cif |
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Users of the data should acknowledge the original authors of the
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