Information card for entry 7206773

Structure parameters

• Formula: C17 H10 B F3 N2 O2
• Calculated formula: C17 H10 B F3 N2 O2
• SMILES: FC(F)(F)c1ccc(cc1)B1NC2=C(N1)C(=O)c1ccccc1C2=O
• Title of publication: Diazaboroles with quinone units: hydrogen bonding network and n-type FETs involving a three-coordinate boron atom
• Authors of publication: Nishida, Jun-ichi; Fujita, Tomohiro; Fujisaki, Yoshihide; Tokito, Shizuo; Yamashita, Yoshiro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 16442
• a: 5.5337 ± 0.0012 Å
• b: 7.9622 ± 0.0019 Å
• c: 16.321 ± 0.003 Å
• α: 101.835 ± 0.006°
• β: 94.236 ± 0.007°
• γ: 93.967 ± 0.006°
• Cell volume: 699.3 ± 0.3 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 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 significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.3359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No