Information card for entry 7242539

Structure parameters

• Formula: C32 H22 F6 O2
• Calculated formula: C32 H22 F6 O2
• SMILES: Fc1cc(C2C(C(=O)c3ccc(cc3)C)C(c3cc(F)c(F)c(F)c3)C2C(=O)c2ccc(cc2)C)cc(F)c1F
• Title of publication: Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals
• Authors of publication: Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5856 - 5868
• a: 13.6767 ± 0.0005 Å
• b: 8.6874 ± 0.0003 Å
• c: 11.331 ± 0.0004 Å
• α: 90°
• β: 107.084 ± 0.001°
• γ: 90°
• Cell volume: 1286.89 ± 0.08 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116.06 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No