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Information card for entry 7233999
Preview
| Coordinates | 7233999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H31 B N2 O2 |
|---|---|
| Calculated formula | C31 H31 B N2 O2 |
| SMILES | [B]1([O]=C(c2ccc(N(C)C)cc2)C=C(O1)c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission |
| Authors of publication | Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 499 - 505 |
| a | 15.136 ± 0.003 Å |
| b | 8.9997 ± 0.0018 Å |
| c | 20.207 ± 0.004 Å |
| α | 90° |
| β | 104.56 ± 0.03° |
| γ | 90° |
| Cell volume | 2664.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1461 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218581 (current) | 2019-09-20 | cif/ Adding structures of 7233999 via cif-deposit CGI script. |
7233999.cif |
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Users of the data should acknowledge the original authors of the
structural data.