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Information card for entry 7703698
Preview
| Coordinates | 7703698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H27 O P |
|---|---|
| Calculated formula | C25 H27 O P |
| SMILES | P(C(=O)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | The phosphinoboration of acyl chlorides. |
| Authors of publication | Murphy, Maia C.; Trofimova, Alina; LaFortune, James H. W.; Vogels, Christopher M.; Geier, Stephen J.; Binder, Justin F.; Macdonald, Charles L. B.; Stephan, Douglas W.; Westcott, Stephen A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 16 |
| Pages of publication | 5092 - 5099 |
| a | 8.317 ± 0.003 Å |
| b | 11.854 ± 0.004 Å |
| c | 11.878 ± 0.003 Å |
| α | 99.213 ± 0.007° |
| β | 105.491 ± 0.008° |
| γ | 107.793 ± 0.007° |
| Cell volume | 1036.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0939 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703698.cif |
| 251619 | 2020-05-05 | cif/ Updating files of 7703695, 7703696, 7703697, 7703698 Original log message: Adding full bibliography for 7703695--7703698.cif. |
7703698.cif |
| 249167 | 2020-03-07 | cif/ Adding structures of 7703695, 7703696, 7703697, 7703698 via cif-deposit CGI script. |
7703698.cif |
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Users of the data should acknowledge the original authors of the
structural data.