Information card for entry 7118486

Structure parameters

• Formula: C15 H15 Cl N2 O
• Calculated formula: C15 H15 Cl N2 O
• SMILES: Clc1cc(c(O)cc1)/C=N/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: 6.0936 ± 0.0012 Å
• b: 8.4244 ± 0.0017 Å
• c: 26.374 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No