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Information card for entry 1571402
Preview
| Coordinates | 1571402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 Br0.97 N O3 |
|---|---|
| Calculated formula | C15 H11 Br0.975 N O3 |
| Title of publication | Pnictogen bonding in imide derivatives for chiral folding and self-assembly. |
| Authors of publication | Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 18 |
| Pages of publication | 6924 - 6933 |
| a | 7.4015 ± 0.0004 Å |
| b | 8.5478 ± 0.0006 Å |
| c | 11.0934 ± 0.0005 Å |
| α | 96.71 ± 0.004° |
| β | 92.275 ± 0.004° |
| γ | 111.131 ± 0.006° |
| Cell volume | 647.62 ± 0.07 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1404 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292912 (current) | 2024-07-05 | cif/ Updating files of 1571402, 1571403, 1571404, 1571405, 1571406 Original log message: Adding full bibliography for 1571402--1571406.cif. |
1571402.cif |
| 291100 | 2024-04-06 | cif/ Adding structures of 1571402, 1571403, 1571404, 1571405, 1571406 via cif-deposit CGI script. |
1571402.cif |
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Users of the data should acknowledge the original authors of the
structural data.