Information card for entry 1554691

Structure parameters

• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: O(c1ccc(/N=C/c2c(O)cccc2)cc1)CC
• Title of publication: Utilizing the aggregation-induced emission phenomenon to visualize spontaneous molecular directed motion in the solid state
• Authors of publication: Liu, Jianxun; Xing, Chang; Wei, Donghui; Deng, Qianqian; Yang, Cuiping; Peng, Qiuchen; Hou, Hongwei; Li, Yuanyuan; Li, Kai
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 2746
• a: 6.2682 ± 0.0005 Å
• b: 7.1504 ± 0.0005 Å
• c: 28.857 ± 0.002 Å
• α: 94.165 ± 0.002°
• β: 90.331 ± 0.003°
• γ: 90.002 ± 0.003°
• Cell volume: 1289.94 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No