Information card for entry 7115357

Structure parameters

• Formula: C24 H23 N3 O
• Calculated formula: C24 H23 N3 O
• SMILES: o1c2ccccc2nc1c1ccc(/N=C/c2ccc(N(CC)CC)cc2)cc1
• Title of publication: Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system
• Authors of publication: Lianke Wang; Yanfang Shen; Mingdi Yang; Xiuzhen Zhang; Weinan Xu; Qiuju Zhu; Jieying Wu; Yupeng Tian; Hongping Zhou
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8723
• a: 7.5448 ± 0.0008 Å
• b: 9.2205 ± 0.001 Å
• c: 28.088 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No