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Information card for entry 7239221
Preview
| Coordinates | 7239221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H38 N4 O2 |
|---|---|
| Calculated formula | C48 H38 N4 O2 |
| Title of publication | The regioselectivity and synthetic mechanism of 1,2-benzimidazole squaraines: combined experimental and theoretical studies |
| Authors of publication | Xia, Guomin; Wu, Zhiwei; Yuan, Yanli; Wang, Hongming |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 39 |
| Pages of publication | 18055 |
| a | 25.957 ± 0.006 Å |
| b | 11.995 ± 0.003 Å |
| c | 23.968 ± 0.005 Å |
| α | 90° |
| β | 94.994 ± 0.003° |
| γ | 90° |
| Cell volume | 7434 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2049 |
| Residual factor for significantly intense reflections | 0.1005 |
| Weighted residual factors for significantly intense reflections | 0.1617 |
| Weighted residual factors for all reflections included in the refinement | 0.2009 |
| 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 |
|---|---|---|---|
| 244604 (current) | 2019-11-28 | cif/ Adding structures of 7239221 via cif-deposit CGI script. |
7239221.cif |
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Users of the data should acknowledge the original authors of the
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