Information card for entry 7234544

Structure parameters

• Formula: C21 H16 N2 O3
• Calculated formula: C21 H16 N2 O3
• SMILES: O=C1N(C(=O)N(C(=O)C1=Cc1c2ccccc2cc2ccccc12)C)C
• Title of publication: Enhanced AIE and different stimuli-responses in red fluorescent (1,3-dimethyl)barbituric acid-functionalized anthracenes
• Authors of publication: Guohui Yin; Yawen Ma; Yao Xiong; Xiaohui Cao; Yang Li; Ligong Chen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 751 - 757
• a: 8.2837 ± 0.0017 Å
• b: 15.617 ± 0.006 Å
• c: 25.025 ± 0.007 Å
• α: 90°
• β: 91.261 ± 0.016°
• γ: 90°
• Cell volume: 3236.6 ± 1.7 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: 0.056
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No