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Information card for entry 4036751
Preview
Coordinates | 4036751.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H30 B F2 N3 |
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Calculated formula | C26 H30 B F2 N3 |
SMILES | [B]1(F)(F)n2c(c3[nH]c(c(c3C)CC)C)c3c(c2C(=c2[n]1c(c(c2C)CC)C)C)cccc3 |
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 | 10.496 ± 0.002 Å |
b | 11.1292 ± 0.0011 Å |
c | 11.1886 ± 0.0012 Å |
α | 117.414 ± 0.001° |
β | 99.163 ± 0.002° |
γ | 93.096 ± 0.001° |
Cell volume | 1133.2 ± 0.3 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 | 0.0756 |
Residual factor for significantly intense reflections | 0.0645 |
Weighted residual factors for significantly intense reflections | 0.2303 |
Weighted residual factors for all reflections included in the refinement | 0.2534 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036751.html
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