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Information card for entry 7060853
Preview
Coordinates | 7060853.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H23.81 B0.81 Br3 N4 O1.63 Zn |
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Calculated formula | C31 H23.817 B0.817 Br3 N4 O1.634 Zn |
Title of publication | Anion recognition by anthracene appended ortho-aminomethylphenylboronic acid: a new PET-based sensing mechanism |
Authors of publication | Ortega-Valdovinos, Luis Ramón; Valdes-García, Josue; Bazany-Rodríguez, Iván J.; Lugo-González, José Carlos; Dorazco-González, Alejandro; Yatsimirsky, Anatoly K. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 34 |
Pages of publication | 15618 - 15628 |
a | 14.9965 ± 0.0003 Å |
b | 13.1054 ± 0.0002 Å |
c | 17.7644 ± 0.0003 Å |
α | 90° |
β | 109.788 ± 0.0007° |
γ | 90° |
Cell volume | 3285.17 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.077 |
Residual factor for significantly intense reflections | 0.0747 |
Weighted residual factors for significantly intense reflections | 0.227 |
Weighted residual factors for all reflections included in the refinement | 0.2299 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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