Information card for entry 7208418

Structure parameters

• Formula: C34 H50 N4 O8
• Calculated formula: C34 H50 N4 O8
• SMILES: C(/c1ccc(cc1)N1CCOCCOCCOCCOCC1)=N\N=C\c1ccc(cc1)N1CCOCCOCCOCCOCC1
• Title of publication: Aggregation induced emission in the rotatable molecules: the essential role of molecular interaction
• Authors of publication: Yu, Zhipeng; Duan, Yaya; Cheng, Longhuai; Han, Zhili; Zheng, Zheng; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 33
• Pages of publication: 16927
• a: 22.369 ± 0.005 Å
• b: 8.74 ± 0.005 Å
• c: 8.395 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.859 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1635.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No