Information card for entry 1559741

Structure parameters

• Formula: C38 H32 F12 N2 P2
• Calculated formula: C38 H32 F12 N2 P2
• SMILES: c1(ccc(cc1)c1cc[n+](cc1)C)C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)c1cc[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 37.188 ± 0.002 Å
• b: 9.2614 ± 0.0005 Å
• c: 10.1379 ± 0.0005 Å
• α: 90°
• β: 94.648 ± 0.004°
• γ: 90°
• Cell volume: 3480.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No