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Information card for entry 7053882
Preview
Coordinates | 7053882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H15 B F2 N4 O2 S |
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Calculated formula | C19 H15 B F2 N4 O2 S |
SMILES | S(=O)(C)C.[B]1(F)(F)[n]2c([nH]c3ccccc23)C(=C2N1C(=O)c1ccccc21)C#N |
Title of publication | Synthesis and fluorescence properties of isoindoline‒benzazole-based boron difluoride complexes |
Authors of publication | Wang, Xiaoqing; Liu, Hou-ting; Cui, Jichun; Wu, Yanping; Lu, Hua; Lu, Jing; Liu, Zhipeng; He, Weijiang |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 3 |
Pages of publication | 1277 |
a | 7.8205 ± 0.0009 Å |
b | 10.3904 ± 0.0011 Å |
c | 12.6744 ± 0.0014 Å |
α | 111.822 ± 0.01° |
β | 97.397 ± 0.009° |
γ | 98.633 ± 0.009° |
Cell volume | 926 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1089 |
Residual factor for significantly intense reflections | 0.09 |
Weighted residual factors for significantly intense reflections | 0.256 |
Weighted residual factors for all reflections included in the refinement | 0.2804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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