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Information card for entry 7134209
Preview
| Coordinates | 7134209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BBA-10-Me |
|---|---|
| Chemical name | (2',4',6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol absorbed in crystalline sponge |
| Formula | C39.42 H28.84 I6 N12 O0.14 Zn3 |
| Calculated formula | C39.4166 H28.8354 I6 N12 O0.1427 Zn3 |
| Title of publication | The electrosynthesis of highly encumbered biaryls from aryl <i>o</i>-iodobenzyl ethers by a radical to polar crossover sequence. |
| Authors of publication | Pearce, James E.; Hodgson, Jack; Folgueiras-Amador, Ana A; Fish, Johanna A.; Carroll, Robert C.; Coles, Simon J.; Parsons, Philip J.; Brown, Richard C. D.; Harrowven, David C. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 20 |
| Pages of publication | 4042 - 4045 |
| a | 35.0015 ± 0.0005 Å |
| b | 14.8912 ± 0.0001 Å |
| c | 31.1462 ± 0.0004 Å |
| α | 90° |
| β | 101.513 ± 0.001° |
| γ | 90° |
| Cell volume | 15907.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.2135 |
| Weighted residual factors for all reflections included in the refinement | 0.225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298778 (current) | 2025-04-05 | cif/ Updating files of 7134208, 7134209 Original log message: Adding full bibliography for 7134208--7134209.cif. |
7134209.cif |
| 297550 | 2025-02-01 | cif/ Adding structures of 7134208, 7134209 via cif-deposit CGI script. |
7134209.cif |
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Users of the data should acknowledge the original authors of the
structural data.