Information card for entry 7125389

Structure parameters

• Formula: C36 H28 N4 O2
• Calculated formula: C36 H28 N4 O2
• Title of publication: Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.
• Authors of publication: Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 64
• Pages of publication: 9559 - 9562
• a: 11.4575 ± 0.0001 Å
• b: 10.6962 ± 0.0001 Å
• c: 27.0458 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3314.51 ± 0.05 ų
• Cell temperature: 170.01 ± 0.1 K
• Ambient diffraction temperature: 170.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No