Information card for entry 1540736

Structure parameters

• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: Oc1c(/C=N/N=C/c2c(O)cccc2)cccc1
• Title of publication: Fluorescence Aggregation-Caused Quenching versus Aggregation-Induced Emission: A Visual Teaching Technology for Undergraduate Chemistry Students
• Authors of publication: Ma, Xiaofeng; Sun, Rui; Cheng, Jinghui; Liu, Jiaoyan; Gou, Fei; Xiang, Haifeng; Zhou, Xiangge
• Journal of publication: Journal of Chemical Education
• Year of publication: 2016
• Journal volume: 93
• Journal issue: 2
• Pages of publication: 345
• a: 8.5418 ± 0.0014 Å
• b: 6.32 ± 0.0012 Å
• c: 11.847 ± 0.002 Å
• α: 90°
• β: 107.98 ± 0.02°
• γ: 90°
• Cell volume: 608.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No