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Information card for entry 7238917
Preview
| Coordinates | 7238917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | x2 |
|---|---|
| Formula | C21 H14 Br N5 O2 |
| Calculated formula | C21 H14 Br N5 O2 |
| Title of publication | Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones |
| Authors of publication | Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 17 |
| Pages of publication | 5807 |
| a | 7.0998 ± 0.0005 Å |
| b | 10.4533 ± 0.0007 Å |
| c | 14.2795 ± 0.001 Å |
| α | 103.513 ± 0.005° |
| β | 104.362 ± 0.004° |
| γ | 101.119 ± 0.004° |
| Cell volume | 962.19 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244461 (current) | 2019-11-28 | cif/ Adding structures of 7238916, 7238917, 7238918 via cif-deposit CGI script. |
7238917.cif |
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Users of the data should acknowledge the original authors of the
structural data.