Information card for entry 7233549

Structure parameters

• Formula: C19 H13 N3 O
• Calculated formula: C19 H13 N3 O
• SMILES: o1c(c2ccc(/N=C/c3ccncc3)cc2)nc2c1cccc2
• Title of publication: Schiff base particles with aggregation-induced enhanced emission: random aggregation preventing pi-pi stacking
• Authors of publication: Lianke Wang; Zheng Zheng; Zhipeng Yu; Jun Zheng; Min Fang; Jieying Wu; Yupeng Tian; Hongping Zhou
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2012
• Journal volume: 1
• Pages of publication: 6952 - 6959
• a: 10.969 ± 0.005 Å
• b: 7.342 ± 0.005 Å
• c: 36.533 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2942 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No