Information card for entry 1506651

Structure parameters

• Common name: 5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole
• 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 ų
• 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