Information card for entry 7233669

Structure parameters

• Formula: C31 H24 N5 O
• Calculated formula: C31 H24 N5 O
• SMILES: c1ccccc1N(c1ccccc1)c1ccc(cc1)c1[nH]c2c(ccc(c2)/N=C/c2ccncc2)n1.O
• Title of publication: Schiff base derivatives containing heterocycles with aggregation-induced emission and recognition ability
• Authors of publication: Gang Liu; Mingdi Yang; Lianke Wang; Jun Zheng; Hongping Zhou; Jieying Wu; Yupeng Tian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 2684 - 2691
• a: 23.904 ± 0.004 Å
• b: 9.7529 ± 0.0017 Å
• c: 11.323 ± 0.002 Å
• α: 90°
• β: 98.054 ± 0.002°
• γ: 90°
• Cell volume: 2613.7 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No