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Information card for entry 1572734
Preview
| Coordinates | 1572734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H71 B4 N4 S |
|---|---|
| Calculated formula | C65 H71 B4 N4 S |
| Title of publication | Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid. |
| Authors of publication | Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 43 |
| Pages of publication | 17912 - 17917 |
| a | 15.6639 ± 0.0006 Å |
| b | 16.1414 ± 0.0007 Å |
| c | 23.311 ± 0.001 Å |
| α | 90° |
| β | 93.896 ± 0.004° |
| γ | 90° |
| Cell volume | 5880.3 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.103 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296383 (current) | 2024-12-06 | cif/ Updating files of 1572732, 1572733, 1572734, 1572735 Original log message: Adding full bibliography for 1572732--1572735.cif. |
1572734.cif |
| 294990 | 2024-10-03 | cif/ Adding structures of 1572732, 1572733, 1572734, 1572735 via cif-deposit CGI script. |
1572734.cif |
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Users of the data should acknowledge the original authors of the
structural data.