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Information card for entry 1504533
Preview
Coordinates | 1504533.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H19 B F2 N2 O3 |
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Calculated formula | C26 H19 B F2 N2 O3 |
SMILES | c12c3C(=O)C4=C(O[B]([n]5c4ccc4c5cccc4)(F)F)c1cccc2c(cc3)N1CCOCC1 |
Title of publication | Isomeric boron-fluorine complexes with donor-acceptor architecture: strong solid/liquid fluorescence and large Stokes shift. |
Authors of publication | Zhou, Ying; Xiao, Yi; Chi, Shaoming; Qian, Xuhong |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 4 |
Pages of publication | 633 - 636 |
a | 9.0319 ± 0.0003 Å |
b | 9.1542 ± 0.0003 Å |
c | 12.978 ± 0.0004 Å |
α | 95.357 ± 0.002° |
β | 107.539 ± 0.002° |
γ | 95.523 ± 0.002° |
Cell volume | 1009.89 ± 0.06 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1225 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/1504533.html
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