Information card for entry 7237434

Structure parameters

• Chemical name: IPE
• Formula: C21 H17 B N O2
• Calculated formula: C21 H17 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: 8.0038 ± 0.0019 Å
• b: 17.3205 ± 0.0012 Å
• c: 26.7265 ± 0.001 Å
• α: 101.028 ± 0.011°
• β: 91.667 ± 0.01°
• γ: 100.889 ± 0.002°
• Cell volume: 3563 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2327
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No