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Information card for entry 4033726
Preview
Coordinates | 4033726.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H20 B F N2 |
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Calculated formula | C19 H20 B F N2 |
SMILES | [B]1(C)(F)[n]2cccc2=C(c2cccn12)c1c(cc(cc1C)C)C |
Title of publication | Organotrifluoroborate Salts as Complexation Reagents for Synthesizing BODIPY Dyes Containing Both Fluoride and an Organo Substituent at the Boron Center. |
Authors of publication | Wang, Zhaoyun; Cheng, Cheng; Kang, Zhengxin; Miao, Wei; Liu, Qingyun; Wang, Hua; Hao, Erhong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 5 |
Pages of publication | 2732 - 2740 |
a | 9.0174 ± 0.0009 Å |
b | 17.3665 ± 0.0017 Å |
c | 11.4288 ± 0.0011 Å |
α | 90° |
β | 104.159 ± 0.001° |
γ | 90° |
Cell volume | 1735.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0656 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.1443 |
Weighted residual factors for all reflections included in the refinement | 0.1562 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.424 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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