Information card for entry 7234001

Structure parameters

• Formula: C31 H21 B F10 N2 O2
• Calculated formula: C31 H21 B F10 N2 O2
• SMILES: [B]1(OC(=CC(=[O]1)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission
• Authors of publication: Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 499 - 505
• a: 9.0631 ± 0.0018 Å
• b: 11.578 ± 0.002 Å
• c: 14.74 ± 0.003 Å
• α: 70.07 ± 0.03°
• β: 80.02 ± 0.03°
• γ: 84.06 ± 0.03°
• Cell volume: 1430.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No