Information card for entry 1559739

Structure parameters

• Formula: C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25
• Calculated formula: C83 H71 F24 N4 O1.5 P4
• Title of publication: A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens
• Authors of publication: Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Materials Horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 630 - 638
• a: 18.079 ± 0.0007 Å
• b: 30.1771 ± 0.001 Å
• c: 14.9963 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8181.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2408
• Residual factor for significantly intense reflections: 0.2223
• Weighted residual factors for significantly intense reflections: 0.5377
• Weighted residual factors for all reflections included in the refinement: 0.5699
• Goodness-of-fit parameter for all reflections included in the refinement: 2.177
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No