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Information card for entry 7245827
Preview
| Coordinates | 7245827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H35 B Cl P |
|---|---|
| Calculated formula | C29 H35 B Cl P |
| SMILES | Cl[B]1(C2CCCC1CCC2)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides |
| Authors of publication | Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J. |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 50 |
| Pages of publication | 32440 - 32447 |
| a | 12.0911 ± 0.0003 Å |
| b | 13.1217 ± 0.0003 Å |
| c | 15.7545 ± 0.0004 Å |
| α | 87.774 ± 0.001° |
| β | 85.421 ± 0.001° |
| γ | 89.485 ± 0.001° |
| Cell volume | 2489.64 ± 0.11 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279278 (current) | 2022-11-15 | cif/ Adding structures of 7245827, 7245828 via cif-deposit CGI script. |
7245827.cif |
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Users of the data should acknowledge the original authors of the
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