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Information card for entry 7135102
Preview
| Coordinates | 7135102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 B F2 N2 S |
|---|---|
| Calculated formula | C13 H9 B F2 N2 S |
| Title of publication | Small Is Different: N, N-Chelated Organoboron Complexes with Seven-Membered Rings |
| Authors of publication | Tian, Liang; Cao, Yiman; Chen, Can; Ni, Zhigang; Fan, Cong; Mack, John; Dai, Peidi; Lu, Hua; Gai, Lizhi |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 12.1127 ± 0.0003 Å |
| b | 9.1231 ± 0.0002 Å |
| c | 11.7692 ± 0.0003 Å |
| α | 90° |
| β | 113.578 ± 0.001° |
| γ | 90° |
| Cell volume | 1191.98 ± 0.05 Å3 |
| Cell temperature | 302 K |
| Ambient diffraction temperature | 302 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302976 (current) | 2025-10-24 | cif/ Adding structures of 7135102, 7135103 via cif-deposit CGI script. |
7135102.cif |
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Users of the data should acknowledge the original authors of the
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