Information card for entry 1514186

Structure parameters

• Formula: C15 H13 N O
• Calculated formula: C15 H13 N O
• SMILES: C(/C(=O)c1ccccc1)=C/Nc1ccccc1
• 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: 9.5137 ± 0.0008 Å
• b: 13.3349 ± 0.0014 Å
• c: 18.7322 ± 0.0017 Å
• α: 90°
• β: 105.908 ± 0.002°
• γ: 90°
• Cell volume: 2285.4 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No