Information card for entry 7246408

Structure parameters

• Formula: C32 H30 B Br
• Calculated formula: C32 H30 B Br
• Title of publication: Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane
• Authors of publication: Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 2204 - 2212
• a: 12.1955 ± 0.0001 Å
• b: 14.5967 ± 0.0001 Å
• c: 15.1339 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2694.05 ± 0.03 ų
• Cell temperature: 276.17 ± 0.13 K
• Ambient diffraction temperature: 276.17 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No