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Information card for entry 7245979
Preview
| Coordinates | 7245979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 B F2 N2 O |
|---|---|
| Calculated formula | C19 H23 B F2 N2 O |
| SMILES | F[B]1(F)Oc2c(C=[N]1[C@H](c1ccccc1)C)ccc(N(CC)CC)c2 |
| Title of publication | External environment sensitive circularly polarized luminescence properties of a chiral boron difluoride complex |
| Authors of publication | Ikeshita, Masahiro; He, Hongxi; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 53 |
| Pages of publication | 34790 - 34796 |
| a | 19.6617 ± 0.0011 Å |
| b | 6.5542 ± 0.0004 Å |
| c | 20.6217 ± 0.0011 Å |
| α | 90° |
| β | 100.086 ± 0.005° |
| γ | 90° |
| Cell volume | 2616.4 ± 0.3 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279760 (current) | 2022-12-07 | cif/ Adding structures of 7245979 via cif-deposit CGI script. |
7245979.cif |
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Users of the data should acknowledge the original authors of the
structural data.