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Information card for entry 1572802
Preview
| Coordinates | 1572802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H46 B31 O P |
|---|---|
| Calculated formula | C26 H46 B31 O P |
| SMILES | [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C#CO[B]1([C]2345[C]678([C]9%10%11%12[C]%13%14%151[BH]1%169[BH]9%17%11[BH]%11%18%12[BH]%12%10%13[BH]%10%13%14[BH]%14%151[BH]1%169[BH]9%13%14[BH]%11%12%10[BH]%17%1819)[BH]194[BH]4%102[BH]2%113[BH]356[BH]567[BH]781[BH]194[BH]4%10%11[BH]235[BH]6714)[C]1234[CH]567[BH]892[BH]2%101[BH]1%113[BH]346[BH]46%11[BH]%11%12%13[BH]58([BH]92%11[BH]%1014%12)[BH]736%13 |
| Title of publication | Structure-constraint induced increase in Lewis acidity of tris(<i>ortho</i>-carboranyl)borane and selective complexation with Bestmann ylides. |
| Authors of publication | Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 43 |
| Pages of publication | 17944 - 17949 |
| a | 12.196 ± 0.003 Å |
| b | 12.565 ± 0.003 Å |
| c | 15.872 ± 0.004 Å |
| α | 91.154 ± 0.008° |
| β | 106.328 ± 0.009° |
| γ | 117.784 ± 0.007° |
| Cell volume | 2032.1 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0562 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296376 (current) | 2024-12-06 | cif/ Updating files of 1572799, 1572800, 1572801, 1572802 Original log message: Adding full bibliography for 1572799--1572802.cif. |
1572802.cif |
| 295064 | 2024-10-05 | cif/ Adding structures of 1572799, 1572800, 1572801, 1572802 via cif-deposit CGI script. |
1572802.cif |
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Users of the data should acknowledge the original authors of the
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