Information card for entry 7232803

Structure parameters

• Formula: C28 H24 F2 N2 O2
• Calculated formula: C28 H24 F2 N2 O2
• Title of publication: Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms
• Authors of publication: Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 4258
• a: 16.755 ± 0.0008 Å
• b: 19.747 ± 0.001 Å
• c: 7.6891 ± 0.0004 Å
• α: 90°
• β: 98.211 ± 0.003°
• γ: 90°
• Cell volume: 2517.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No