Information card for entry 7234000

Structure parameters

• Formula: C31 H31 B N2 O2
• Calculated formula: C31 H31 B N2 O2
• SMILES: [B]1([O]=C(c2ccc(N(C)C)cc2)C=C(O1)c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1
• 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: 10.62 ± 0.002 Å
• b: 10.757 ± 0.002 Å
• c: 18.073 ± 0.004 Å
• α: 79.44 ± 0.03°
• β: 88.37 ± 0.03°
• γ: 76.63 ± 0.03°
• Cell volume: 1974.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1697
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No