Information card for entry 7124368

Structure parameters

• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• Title of publication: A stable AIEgen cis-diarylethene-Based ‘ESIPT’ benchmark
• Authors of publication: Zhang, Tingting; Wen, Liu; Liu, Genjiang; Yan, Jiaying; Liu, Xiang; Zheng, Kaibo; Zhang, Nuonuo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.681 ± 0.0019 Å
• b: 11.462 ± 0.002 Å
• c: 16.848 ± 0.003 Å
• α: 90°
• β: 98.17 ± 0.03°
• γ: 90°
• Cell volume: 1850.5 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0996
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No