Information card for entry 4118633

Structure parameters

• Formula: C17 H11 B F2 N4
• Calculated formula: C17 H11 B F2 N4
• SMILES: F[B]1(F)N(N=C(c2[n]1c1c(cc2)cccc1)C#N)c1ccccc1
• Title of publication: Visible Light Switching of a BF2-Coordinated Azo Compound
• Authors of publication: Yin Yang; Russell P. Hughes; Ivan Aprahamian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15221 - 15224
• a: 14.0164 ± 0.0016 Å
• b: 7.1162 ± 0.0008 Å
• c: 29.169 ± 0.003 Å
• α: 90°
• β: 98.685 ± 0.001°
• γ: 90°
• Cell volume: 2876.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No