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Information card for entry 7238905
Preview
| Coordinates | 7238905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 Br O3 P |
|---|---|
| Calculated formula | C20 H20 Br O3 P |
| Title of publication | Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties |
| Authors of publication | Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 4001 |
| a | 21.51 ± 0.003 Å |
| b | 5.6451 ± 0.0008 Å |
| c | 14.508 ± 0.002 Å |
| α | 90° |
| β | 100.285 ± 0.003° |
| γ | 90° |
| Cell volume | 1733.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238905.cif |
| 244459 | 2019-11-28 | cif/ Adding structures of 7238904, 7238905, 7238906 via cif-deposit CGI script. |
7238905.cif |
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Users of the data should acknowledge the original authors of the
structural data.