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Information card for entry 1570793
Preview
| Coordinates | 1570793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H94 B N5 |
|---|---|
| Calculated formula | C85 H94 B N5 |
| Title of publication | Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring. |
| Authors of publication | Du, Mingxu; Mai, Minqiang; Zhang, Dongdong; Duan, Lian; Zhang, Yuewei |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 3148 - 3154 |
| a | 13.9175 ± 0.0004 Å |
| b | 14.8192 ± 0.0004 Å |
| c | 19.2412 ± 0.0005 Å |
| α | 89.702 ± 0.002° |
| β | 77.628 ± 0.002° |
| γ | 79.792 ± 0.002° |
| Cell volume | 3812.69 ± 0.18 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.074 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1843 |
| Weighted residual factors for all reflections included in the refinement | 0.1923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290136 (current) | 2024-03-04 | cif/ Updating files of 1570793 Original log message: Adding full bibliography for 1570793.cif. |
1570793.cif |
| 289121 | 2024-01-18 | cif/ Adding structures of 1570793 via cif-deposit CGI script. |
1570793.cif |
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Users of the data should acknowledge the original authors of the
structural data.