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Information card for entry 1571148
Preview
| Coordinates | 1571148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 Cl N2 S |
|---|---|
| Calculated formula | C14 H17 Cl N2 S |
| SMILES | ClCCN1CSCn2c3ccccc3c(c2C1)C |
| Title of publication | A multicomponent reaction for modular assembly of indole-fused heterocycles |
| Authors of publication | Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 14 |
| Pages of publication | 5211 - 5217 |
| a | 5.0074 ± 0.0004 Å |
| b | 9.0205 ± 0.0007 Å |
| c | 15.1568 ± 0.0013 Å |
| α | 80.365 ± 0.003° |
| β | 89.851 ± 0.003° |
| γ | 84.042 ± 0.003° |
| Cell volume | 671.24 ± 0.09 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290833 (current) | 2024-04-05 | cif/ Updating files of 1571147, 1571148, 1571149, 1571150 Original log message: Adding full bibliography for 1571147--1571150.cif. |
1571148.cif |
| 290346 | 2024-03-06 | cif/ Adding structures of 1571147, 1571148, 1571149, 1571150 via cif-deposit CGI script. |
1571148.cif |
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Users of the data should acknowledge the original authors of the
structural data.