Information card for entry 7230411

Structure parameters

• Formula: C60 H42 Cl4 F2 N2 S
• Calculated formula: C60 H42 Cl4 F2 N2 S
• Title of publication: Synthesis, characterization, aggregation-induced emission, solvatochromism and mechanochromism of fluorinated benzothiadiazole bonded to tetraphenylethenes
• Authors of publication: Yu, Chin-Yang; Hsu, Chia-Chieh; Weng, Hsi-Chen
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 12619
• a: 9.1294 ± 0.0012 Å
• b: 9.2735 ± 0.0013 Å
• c: 16.422 ± 0.002 Å
• α: 93.116 ± 0.004°
• β: 97.317 ± 0.004°
• γ: 115.044 ± 0.004°
• Cell volume: 1240.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1147
• 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: Yes
• Has Fobs: No