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Information card for entry 7038817
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Coordinates | 7038817.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BbF8 |
---|---|
Formula | C27 H22 B F2 N3 |
Calculated formula | C27 H22 B F2 N3 |
SMILES | [B]1(n2c3ccccc3cc2C(=c2ccc(c3ccc(cc3)N(C)C)[n]12)c1ccccc1)(F)F |
Title of publication | Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship. |
Authors of publication | Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 18 |
Pages of publication | 7589 - 7604 |
a | 7.558 ± 0.0002 Å |
b | 10.8156 ± 0.0003 Å |
c | 25.7212 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2102.56 ± 0.1 Å3 |
Cell temperature | 105 K |
Ambient diffraction temperature | 105 K |
Number of distinct elements | 5 |
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 | 0.0278 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0721 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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