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Information card for entry 1506651
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Coordinates | 1506651.cif |
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Original paper (by DOI) | HTML |
Common name | 5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole |
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Chemical name | 5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole |
Formula | C18 H11 B Cl2 N2 O2 |
Calculated formula | C18 H11 B Cl2 N2 O2 |
SMILES | [B]12(c3ccccc3N=[N]1c1ccccc1)Oc1cc(c(cc1O2)Cl)Cl |
Title of publication | Photoswitching of the Lewis acidity of a catecholborane bearing an azo group based on the change in coordination number of boron. |
Authors of publication | Kano, Naokazu; Yoshino, Junro; Kawashima, Takayuki |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 18 |
Pages of publication | 3909 - 3911 |
a | 8.809 ± 0.004 Å |
b | 18.028 ± 0.008 Å |
c | 10.368 ± 0.005 Å |
α | 90° |
β | 96.8388 ± 0.0019° |
γ | 90° |
Cell volume | 1634.8 ± 1.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0745 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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