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Information card for entry 1556225
Preview
Coordinates | 1556225.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H26 B F2 N |
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Calculated formula | C23 H26 B F2 N3 |
SMILES | c1(cc(c2C(=c3c(cc(C)[n]3[B](F)(F)n12)C)/C=C/c1ccc(cc1)N(C)C)C)C |
Title of publication | 8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation. |
Authors of publication | Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J. |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 17 |
Pages of publication | 4454 - 4457 |
a | 6.3964 ± 0.0005 Å |
b | 10.0934 ± 0.0009 Å |
c | 16.1699 ± 0.0014 Å |
α | 84.772 ± 0.007° |
β | 84.73 ± 0.007° |
γ | 72.022 ± 0.007° |
Cell volume | 986.61 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1747 |
Weighted residual factors for all reflections included in the refinement | 0.1871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1556225.html
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Users of the data should acknowledge the original authors of the
structural data.