Information card for entry 1569283

Structure parameters

• Chemical name: 1
• Formula: C22 H19 N O3
• Calculated formula: C22 H19 N O3
• SMILES: Oc1cc(N2c3ccccc3C(c3c2cccc3)(C)C)ccc1C(=O)O
• Title of publication: High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.
• Authors of publication: Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 3976
• a: 9.0126 ± 0.0003 Å
• b: 30.5182 ± 0.0012 Å
• c: 12.6586 ± 0.0005 Å
• α: 90°
• β: 103.306 ± 0.001°
• γ: 90°
• Cell volume: 3388.3 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1787
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No