Information card for entry 7127760

Structure parameters

• Formula: C31 H25 B F2 O2
• Calculated formula: C31 H25 B F2 O2
• Title of publication: Synthesis of fulvene-containing boron complexes with aggregation-induced emission and mechanochromic luminescence.
• Authors of publication: Yan, Cai-Xin; Lin, Qian-Qian; Li, Sha; Wu, Cheng-Juan; Li, Yan-An; Fan, Jian-Zhong; Ma, Jian-Ping; Geng, Yan; Dong, Yu-Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 92
• Pages of publication: 14435 - 14438
• a: 24.5441 ± 0.0019 Å
• b: 12.1699 ± 0.0004 Å
• c: 20.6663 ± 0.0016 Å
• α: 90°
• β: 123.726 ± 0.011°
• γ: 90°
• Cell volume: 5134.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No