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Information card for entry 1571403
Preview
| Coordinates | 1571403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 Br N O3 |
|---|---|
| Calculated formula | C21 H16 Br 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 | 9.5671 ± 0.0002 Å |
| b | 6.22015 ± 0.00011 Å |
| c | 14.7354 ± 0.0003 Å |
| α | 90° |
| β | 104.31 ± 0.002° |
| γ | 90° |
| Cell volume | 849.68 ± 0.03 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1571403.cif |
| 291100 | 2024-04-06 | cif/ Adding structures of 1571402, 1571403, 1571404, 1571405, 1571406 via cif-deposit CGI script. |
1571403.cif |
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Users of the data should acknowledge the original authors of the
structural data.