Information card for entry 7237431

Structure parameters

• Chemical name: EE
• Formula: C20 H16 B N O2
• Calculated formula: C20 H16 B N O2
• Title of publication: Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials
• Authors of publication: Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 32
• Pages of publication: 8733
• a: 10.1937 ± 0.0012 Å
• b: 24.9479 ± 0.0016 Å
• c: 7.566 ± 0.002 Å
• α: 90°
• β: 119.872 ± 0.017°
• γ: 90°
• Cell volume: 1668.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No