Information card for entry 7118487

Structure parameters

• Formula: C16 H18 N2 O2
• Calculated formula: C16 H18 N2 O2
• SMILES: N(=C\c1c(O)cc(OC)cc1)/c1ccc(N(C)C)cc1
• 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: 14.9189 ± 0.0013 Å
• b: 5.968 ± 0.0005 Å
• c: 20.9971 ± 0.0018 Å
• α: 90°
• β: 130.968 ± 0.003°
• γ: 90°
• Cell volume: 1411.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No