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Information card for entry 7715958
Preview
| Coordinates | 7715958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H14 B4 Br2 F6 N6 O3 |
|---|---|
| Calculated formula | C24 H14 B4 Br2 F6 N6 O3 |
| SMILES | Brc1ccc(C2=[O][B](F)(F)N3N2[B@@]2(F)O[B@]4(F)N5N(c6[n]4c(ccc6)c4[n]2c3ccc4)[B](F)(F)[O]=C5c2ccc(Br)cc2)cc1.Brc1ccc(C2=[O][B](F)(F)N3N2[B@]2(F)O[B@@]4(F)N5N(c6[n]4c(ccc6)c4[n]2c3ccc4)[B](F)(F)[O]=C5c2ccc(Br)cc2)cc1 |
| Title of publication | Simultaneous discovery of chiral and achiral dyes: elucidating the optical functions of helical and flag-hinged boron tetradentate complexes. |
| Authors of publication | Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 9183 - 9191 |
| a | 8.1074 ± 0.0011 Å |
| b | 10.5772 ± 0.0017 Å |
| c | 15.807 ± 0.003 Å |
| α | 91.309 ± 0.014° |
| β | 91.058 ± 0.014° |
| γ | 99.216 ± 0.013° |
| Cell volume | 1337.3 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1673 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293157 (current) | 2024-07-05 | cif/ Updating files of 7715954, 7715955, 7715956, 7715957, 7715958 Original log message: Adding full bibliography for 7715954--7715958.cif. |
7715958.cif |
| 291760 | 2024-05-08 | cif/ Adding structures of 7715954, 7715955, 7715956, 7715957, 7715958 via cif-deposit CGI script. |
7715958.cif |
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Users of the data should acknowledge the original authors of the
structural data.