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Information card for entry 7038819
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Coordinates | 7038819.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Bbf1 |
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Formula | C25 H17 B F2 N2 |
Calculated formula | C25 H17 B F2 N2 |
SMILES | F[B]1(F)[n]2c3ccccc3cc2=C(c2n1c(cc2)c1ccccc1)c1ccccc1 |
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 | 12.2509 ± 0.0007 Å |
b | 7.8383 ± 0.0004 Å |
c | 39.829 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3824.6 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0685 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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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