Information card for entry 7236928

Structure parameters

• Formula: C44 H43 N O4
• Calculated formula: C44 H43 N O4
• SMILES: C(CCN1C(=O)c2cccc3c2c(C1=O)ccc3c1cc2c(cc1)c1ccc(cc1C2(CCCC)CCCC)c1cc(c(cc1)O)C=O)C
• Title of publication: AIE-active molecule-based self-assembled nano-fibrous films for sensitive detection of volatile organic amines
• Authors of publication: Hu, Jinyang; Liu, Rui; Zhai, Shengliang; Wu, Yanan; Zhang, Haozhe; Cheng, Hanting; Zhu, Hongjun
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 11781
• a: 11.742 ± 0.005 Å
• b: 12.27 ± 0.005 Å
• c: 13.311 ± 0.005 Å
• α: 67.566 ± 0.01°
• β: 84.865 ± 0.011°
• γ: 77.303 ± 0.012°
• Cell volume: 1729.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.3528
• Residual factor for significantly intense reflections: 0.2481
• Weighted residual factors for significantly intense reflections: 0.4416
• Weighted residual factors for all reflections included in the refinement: 0.4987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No