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Information card for entry 4036754
Preview
Coordinates | 4036754.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 B F2 N3 |
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Calculated formula | C24 H20 B F2 N3 |
SMILES | [B]1(F)(F)n2c(c3[nH]c4c(c3C)cccc4)c3ccccc3c2C=c2[n]1c(cc2C)C |
Title of publication | Red to Near-Infrared Isoindole BODIPY Fluorophores: Synthesis, Crystal Structures, and Spectroscopic and Electrochemical Properties. |
Authors of publication | Yu, Changjiang; Wu, Qinghua; Wang, Jun; Wei, Yun; Hao, Erhong; Jiao, Lijuan |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 9 |
Pages of publication | 3761 - 3770 |
a | 7.4969 ± 0.0009 Å |
b | 9.2933 ± 0.0011 Å |
c | 15.1595 ± 0.0017 Å |
α | 97.635 ± 0.001° |
β | 102.255 ± 0.001° |
γ | 106.779 ± 0.001° |
Cell volume | 966.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0703 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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