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Information card for entry 7234772
Preview
| Coordinates | 7234772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H18 B F2 N3 O3 |
|---|---|
| Calculated formula | C33 H18 B F2 N3 O3 |
| SMILES | c12c3c(cccc3)ccc2Oc2cc3c(cc2Oc2c1c1ccccc1cc2)C1=Nc2[n]([B](F)(F)N1C3=O)cccc2 |
| Title of publication | Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties |
| Authors of publication | Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 4668 - 4674 |
| a | 11.4915 ± 0.0012 Å |
| b | 14.5392 ± 0.0016 Å |
| c | 15.7532 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2632 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220065 (current) | 2019-10-28 | cif/ Adding structures of 7234772, 7234773 via cif-deposit CGI script. |
7234772.cif |
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Users of the data should acknowledge the original authors of the
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