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Information card for entry 7233078
Preview
| Coordinates | 7233078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 B F2 N2 Si |
|---|---|
| Calculated formula | C22 H27 B F2 N2 Si |
| SMILES | [Si](c1ccc(C2=c3[n]([B](F)(F)n4c2c(cc4C)C)c(cc3C)C)cc1)(C)(C)C |
| Title of publication | Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure |
| Authors of publication | Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy |
| Journal of publication | JOURNAL OF MATERIALS CHEMISTRY C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 4691 - 4698 |
| a | 9.0644 ± 0.0018 Å |
| b | 13.838 ± 0.003 Å |
| c | 17.166 ± 0.003 Å |
| α | 84.182 ± 0.009° |
| β | 89.033 ± 0.01° |
| γ | 78.19 ± 0.009° |
| Cell volume | 2096.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1584 |
| Residual factor for significantly intense reflections | 0.108 |
| Weighted residual factors for significantly intense reflections | 0.2556 |
| Weighted residual factors for all reflections included in the refinement | 0.2772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216976 (current) | 2019-07-12 | cif/ Adding structures of 7233078 via cif-deposit CGI script. |
7233078.cif |
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Users of the data should acknowledge the original authors of the
structural data.