Information card for entry 7237578

Structure parameters

• Formula: C35 H23 N O S
• Calculated formula: C35 H23 N O S
• Title of publication: Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects
• Authors of publication: Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 3300
• a: 8.8797 ± 0.0012 Å
• b: 11.1418 ± 0.0016 Å
• c: 13.7638 ± 0.0011 Å
• α: 107.046 ± 0.01°
• β: 93.45 ± 0.009°
• γ: 94.833 ± 0.012°
• Cell volume: 1292.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No