Information card for entry 7233999

Structure parameters

• Formula: C31 H31 B N2 O2
• Calculated formula: C31 H31 B N2 O2
• 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: 15.136 ± 0.003 Å
• b: 8.9997 ± 0.0018 Å
• c: 20.207 ± 0.004 Å
• α: 90°
• β: 104.56 ± 0.03°
• γ: 90°
• Cell volume: 2664.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No