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Information card for entry 1547212
Preview
| Coordinates | 1547212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N3 O2 |
|---|---|
| Calculated formula | C19 H21 N3 O2 |
| Title of publication | Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives |
| Authors of publication | Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder |
| Journal of publication | Chemistry Central Journal |
| Year of publication | 2015 |
| Journal volume | 9 |
| Pages of publication | 17 |
| a | 9.1789 ± 0.0006 Å |
| b | 12.7776 ± 0.0009 Å |
| c | 16.0615 ± 0.001 Å |
| α | 89.255 ± 0.004° |
| β | 86.758 ± 0.004° |
| γ | 70.507 ± 0.004° |
| Cell volume | 1772.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1163 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200977 (current) | 2017-09-18 | cif/ Adding structures of 1547212 via cif-deposit CGI script. |
1547212.cif |
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Users of the data should acknowledge the original authors of the
structural data.