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Information card for entry 7239056
Preview
| Coordinates | 7239056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H21 N3 O2 S |
|---|---|
| Calculated formula | C18 H21 N3 O2 S |
| Title of publication | A concise synthesis of 2-(2-aminothiophene)-benzimidazoles by one-pot multicomponent reaction |
| Authors of publication | Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 33 |
| Pages of publication | 13934 |
| a | 8.8513 ± 0.0005 Å |
| b | 16.517 ± 0.0009 Å |
| c | 11.4378 ± 0.0006 Å |
| α | 90° |
| β | 94.84 ± 0.001° |
| γ | 90° |
| Cell volume | 1666.21 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239056.cif |
| 244526 | 2019-11-28 | cif/ Adding structures of 7239056 via cif-deposit CGI script. |
7239056.cif |
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Users of the data should acknowledge the original authors of the
structural data.