Information card for entry 7126184

Structure parameters

• Formula: C38 H23 N3 O2
• Calculated formula: C38 H23 N3 O2
• Title of publication: An ultralong room-temperature phosphorescent material based on the combination of small singlet-triplet splitting energy and H-aggregation.
• Authors of publication: Zhang, Liang; Li, Meng; Gao, Qing-Yu; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 31
• Pages of publication: 4296 - 4299
• a: 15.82204 ± 0.00012 Å
• b: 15.82204 ± 0.00012 Å
• c: 44.7484 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11202.2 ± 0.16 ų
• Cell temperature: 169.99 ± 0.11 K
• Ambient diffraction temperature: 169.99 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No