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Information card for entry 7239129
Preview
| Coordinates | 7239129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 N5 O2 |
|---|---|
| Calculated formula | C23 H21 N5 O2 |
| Title of publication | Ionic liquid supported synthesis of tricyclic pyrimido[1,2-a]benzimidazoles by a telescoped Michael/hetero annulation strategy |
| Authors of publication | Selvaraju, Manikandan; Shiu, Wei-Shuen; Kulkarni, Manohar V.; Sun, Chung-Ming |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 44 |
| Pages of publication | 22314 |
| a | 7.108 ± 0.0001 Å |
| b | 10.9002 ± 0.0002 Å |
| c | 14.3071 ± 0.0002 Å |
| α | 80.435 ± 0.001° |
| β | 85.677 ± 0.001° |
| γ | 71.96 ± 0.001° |
| Cell volume | 1039.01 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244562 (current) | 2019-11-28 | cif/ Adding structures of 7239129 via cif-deposit CGI script. |
7239129.cif |
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Users of the data should acknowledge the original authors of the
structural data.