Information card for entry 7234296

Structure parameters

• Formula: C49 H43 N3 O4
• Calculated formula: C49 H43 N3 O4
• SMILES: O=C1N(C)C(=O)C(=C1c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1.O1CCCC1.O1CCCC1
• Title of publication: A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour
• Authors of publication: Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7267 - 7271
• a: 26.2357 ± 0.0007 Å
• b: 15.5476 ± 0.0003 Å
• c: 19.4629 ± 0.0005 Å
• α: 90°
• β: 107.126 ± 0.003°
• γ: 90°
• Cell volume: 7586.9 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No