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Information card for entry 1575010
Preview
| Coordinates | 1575010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H70 B2 S2 |
|---|---|
| Calculated formula | C72 H70 B2 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 | 28.7061 ± 0.0007 Å |
| b | 28.7061 ± 0.0007 Å |
| c | 13.725 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11310 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1174 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.1935 |
| Weighted residual factors for all reflections included in the refinement | 0.2245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1575010.cif |
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Users of the data should acknowledge the original authors of the
structural data.