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Information card for entry 1555158
Preview
| Coordinates | 1555158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H3 Cl2 N2 |
|---|---|
| Calculated formula | C7 H4 Cl2 N2 |
| SMILES | Clc1n2c(nc1Cl)cccc2 |
| 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 | 11.4945 ± 0.0005 Å |
| b | 7.5152 ± 0.0004 Å |
| c | 17.4299 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1505.66 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0457 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238355 (current) | 2019-11-24 | cif/ Adding structures of 1555158 via cif-deposit CGI script. |
1555158.cif |
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