Information card for entry 7246409

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: 12.18719 ± 0.00019 Å
• b: 14.6021 ± 0.0002 Å
• c: 15.1221 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691.11 ± 0.07 ų
• Cell temperature: 299.5 ± 0.18 K
• Ambient diffraction temperature: 299.5 ± 0.18 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: 0.0402
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No