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Information card for entry 7703695
Preview
| Coordinates | 7703695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H39 B O3 P2 |
|---|---|
| Calculated formula | C39 H39 B O3 P2 |
| SMILES | P(c1ccccc1)(c1ccccc1)C(c1ccccc1)/C=C(P(c1ccccc1)c1ccccc1)\OB1OC(C)(C)C(O1)(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 | 12.1297 ± 0.0006 Å |
| b | 12.7797 ± 0.0005 Å |
| c | 24.5958 ± 0.0011 Å |
| α | 100.177 ± 0.003° |
| β | 90.169 ± 0.004° |
| γ | 111.086 ± 0.003° |
| Cell volume | 3492.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
7703695.cif |
| 251619 | 2020-05-05 | cif/ Updating files of 7703695, 7703696, 7703697, 7703698 Original log message: Adding full bibliography for 7703695--7703698.cif. |
7703695.cif |
| 249167 | 2020-03-07 | cif/ Adding structures of 7703695, 7703696, 7703697, 7703698 via cif-deposit CGI script. |
7703695.cif |
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Users of the data should acknowledge the original authors of the
structural data.