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Information card for entry 7046394
Preview
| Coordinates | 7046394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19.5 H24.75 B0.75 I1.5 O1.5 |
|---|---|
| Calculated formula | C19.5 H24.75 B0.75 I1.5 O1.5 |
| Title of publication | Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials. |
| Authors of publication | Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 31 |
| Pages of publication | 10399 - 10403 |
| a | 10.7568 ± 0.0012 Å |
| b | 17.0259 ± 0.0018 Å |
| c | 22.758 ± 0.002 Å |
| α | 94.956 ± 0.002° |
| β | 94.394 ± 0.002° |
| γ | 103.556 ± 0.002° |
| Cell volume | 4016.5 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0482 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7046394.cif |
| 229828 | 2019-11-17 | cif/ Updating files of 7046393, 7046394, 7046395 Original log message: Adding full bibliography for 7046393--7046395.cif. |
7046394.cif |
| 207845 | 2018-05-18 | cif/ Adding structures of 7046393, 7046394, 7046395 via cif-deposit CGI script. |
7046394.cif |
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Users of the data should acknowledge the original authors of the
structural data.