Information card for entry 1559740

Structure parameters

• Formula: C38 H40 F12 N2 O4 P2
• Calculated formula: C38 H40 F12 N2 O4 P2
• 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: 15.95929 ± 0.00017 Å
• b: 28.8471 ± 0.0003 Å
• c: 8.98775 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4137.77 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No