Information card for entry 7118488

Structure parameters

• Formula: C15 H16 N2 O
• Calculated formula: C15 H16 N2 O
• SMILES: N(=C\c1c(O)cccc1)/c1ccc(cc1)N(C)C
• Title of publication: Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing.
• Authors of publication: Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3123 - 3126
• a: 11.278 ± 0.002 Å
• b: 8.2043 ± 0.0016 Å
• c: 27.475 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2542.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1461
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No