Information card for entry 1514185

Structure parameters

• Formula: C15 H12 B F2 N O
• Calculated formula: C15 H12 B F2 N O
• SMILES: C1C=[N](c2ccccc2)[B](F)(F)OC=1c1ccccc1
• Title of publication: Conjugated Polymers Based on Tautomeric Units: Regulation of Main-Chain Conjugation and Expression of Aggregation Induced Emission Property via Boron-Complexation
• Authors of publication: Yoshii, Ryousuke; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2268
• a: 14.493 ± 0.002 Å
• b: 6.0834 ± 0.001 Å
• c: 15.009 ± 0.003 Å
• α: 90°
• β: 107.679 ± 0.004°
• γ: 90°
• Cell volume: 1260.8 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No