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Information card for entry 7135095
Preview
| Coordinates | 7135095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H16 B F10 N3 S |
|---|---|
| Calculated formula | C28 H16 B F10 N3 S |
| Title of publication | Highly Emissive Boron-α-thioimidinates: Substituent Control of Photophysics and Charge Transport Properties |
| Authors of publication | Murali, A.; Raj, Ankit; Veerapathiran, Sabari; Senanayak, Satyaprasad P.; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 9.8457 ± 0.0003 Å |
| b | 10.564 ± 0.0004 Å |
| c | 13.7846 ± 0.0004 Å |
| α | 105.553 ± 0.003° |
| β | 90.551 ± 0.002° |
| γ | 113.918 ± 0.003° |
| Cell volume | 1251.18 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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 |
|---|---|---|---|
| 302951 (current) | 2025-10-18 | cif/ Adding structures of 7135092, 7135093, 7135094, 7135095 via cif-deposit CGI script. |
7135095.cif |
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Users of the data should acknowledge the original authors of the
structural data.