Information card for entry 7120018

Structure parameters

• Formula: C29 H46 N4 O2 S4
• Calculated formula: C29 H46 N4 O2 S4
• Title of publication: From ACQ to AIE: the suppression of the strong pi-pi interaction of naphthalene diimide derivatives through the adjustment of their flexible chains
• Authors of publication: Luyi Zong; Yujun Xie; Can Wang; Jian-Rong Li; Qianqian Li; Zhen Li
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 11496
• a: 8.58 ± 0.0003 Å
• b: 13.5581 ± 0.0005 Å
• c: 13.8786 ± 0.0005 Å
• α: 85.002 ± 0.003°
• β: 87.556 ± 0.003°
• γ: 85.019 ± 0.003°
• Cell volume: 1601.26 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No