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Information card for entry 7247608
Preview
| Coordinates | 7247608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H40 Br2 O2 P2 |
|---|---|
| Calculated formula | C54 H40 Br2 O2 P2 |
| Title of publication | Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification |
| Authors of publication | Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 24 |
| Pages of publication | 10587 - 10595 |
| a | 14.38 ± 0.0005 Å |
| b | 15.4793 ± 0.0007 Å |
| c | 17.346 ± 0.0006 Å |
| α | 101.507 ± 0.003° |
| β | 108.532 ± 0.003° |
| γ | 108.298 ± 0.004° |
| Cell volume | 3278.1 ± 0.3 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 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 | 0.0753 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288817 (current) | 2024-01-06 | cif/ Updating files of 7247605, 7247606, 7247607, 7247608 Original log message: Adding full bibliography for 7247605--7247608.cif. |
7247608.cif |
| 287186 | 2023-11-01 | cif/ Adding structures of 7247605, 7247606, 7247607, 7247608 via cif-deposit CGI script. |
7247608.cif |
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Users of the data should acknowledge the original authors of the
structural data.