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Information card for entry 1502054
Preview
Coordinates | 1502054.cif |
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Original paper (by DOI) | HTML |
Chemical name | 5,5,5',5'-tetrafluoro-1,1',3,3',7,7',9,9',10,10' -decamethyl-5H,5'H-[2,2'-bidipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinine]-4,6'-diium-5,5'-diuide |
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Formula | C28 H32 B2 F4 N4 |
Calculated formula | C28 H32 B2 F4 N4 |
SMILES | [B]1(F)(F)n2c(c(cc2C)C)C(C)=c2[n]1c(C)c(c2C)c1c(c2n([B](F)(F)[n]3c(cc(c3=C2C)C)C)c1C)C |
Title of publication | Phenyliodine(III) bis(trifluoroacetate) (PIFA)-promoted synthesis of Bodipy dimers displaying unusual redox properties. |
Authors of publication | Rihn, Sandra; Erdem, Mustafa; De Nicola, Antoinette; Retailleau, Pascal; Ziessel, Raymond |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 1916 - 1919 |
a | 12.528 ± 0.001 Å |
b | 12.7591 ± 0.0009 Å |
c | 16.6789 ± 0.0013 Å |
α | 90° |
β | 102.161 ± 0.007° |
γ | 90° |
Cell volume | 2606.2 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1436 |
Residual factor for significantly intense reflections | 0.0885 |
Weighted residual factors for significantly intense reflections | 0.2291 |
Weighted residual factors for all reflections included in the refinement | 0.2741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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