Information card for entry 1549621

Structure parameters

• Formula: C33 H22 N4 O
• Calculated formula: C33 H22 N4 O
• SMILES: O1c2c(N(c3c1cccc3)c1ccc(c3cc(nc(c3)c3ncccc3)c3ccccn3)cc1)cccc2
• Title of publication: Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.
• Authors of publication: Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 28
• Pages of publication: 6150 - 6155
• a: 9.3334 ± 0.0015 Å
• b: 19.56 ± 0.003 Å
• c: 13.636 ± 0.002 Å
• α: 90°
• β: 94.259 ± 0.005°
• γ: 90°
• Cell volume: 2482.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No