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Information card for entry 1575011
Preview
| Coordinates | 1575011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H32 B2 F6 S2 |
|---|---|
| Calculated formula | C42 H32 B2 F6 S2 |
| Title of publication | Intramolecular arylsulfide-coordinated diboraanthracenes: effect of B–S coordination on ground-state and excited-state behavior |
| Authors of publication | Narita, Hiroki; Virovets, Alexander; Lerner, Hans-Wolfram; Wagner, Matthias; Yamaguchi, Shigehiro |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 8764 - 8771 |
| a | 13.4613 ± 0.0004 Å |
| b | 15.9611 ± 0.0004 Å |
| c | 18.0475 ± 0.0005 Å |
| α | 88.617 ± 0.002° |
| β | 74.222 ± 0.002° |
| γ | 75.94 ± 0.002° |
| Cell volume | 3616.09 ± 0.18 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1367 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300328 (current) | 2025-07-04 | cif/ Adding structures of 1575008, 1575009, 1575010, 1575011 via cif-deposit CGI script. |
1575011.cif |
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Users of the data should acknowledge the original authors of the
structural data.