Information card for entry 7231434

Structure parameters

• Formula: C17 H19 N0 O2
• Calculated formula: C17 H19 O2
• Title of publication: Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties
• Authors of publication: Jiang, Qian; Zhang, Mingguang; Wang, Zhonglong; Song, Jie; Yang, Yiqin; Li, Wenchao; Gu, Wen; Xu, Xu; Xu, Haijun; Wang, Shifa
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 52
• Pages of publication: 30055
• a: 9.5307 ± 0.0004 Å
• b: 9.5307 ± 0.0004 Å
• c: 12.9688 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1020.19 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No