Information card for entry 1503441

Structure parameters

• Formula: C16 H14 F12 N2 P2
• Calculated formula: C16 H14 F12 N2 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n+]1(C)cc2c3c4c(c[n+](C)cc4cc2)ccc3c1
• Title of publication: Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.
• Authors of publication: Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 2558 - 2561
• a: 6.7733 ± 0.0005 Å
• b: 10.6708 ± 0.0006 Å
• c: 13.4177 ± 0.0006 Å
• α: 90°
• β: 91.054 ± 0.005°
• γ: 90°
• Cell volume: 969.62 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No