Information card for entry 7235054

Structure parameters

• Formula: C33 H23 F N2
• Calculated formula: C33 H23 F N2
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1ccc(cc1)C(=C\c1cc(ccc1)F)\C#N
• Title of publication: Ratiometric pressure sensors based on cyano-substituted oligo(p-phenylene vinylene) derivatives in the hybridized local and charge-transfer excited state
• Authors of publication: Yujian Zhang; Moge Qile; Jingwei Sun; Minhong Xu; Kai Wang; Feng Cao; Weijun Li; Qingbao Song; Bo Zou; Cheng Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 9954 - 9960
• a: 26.426 ± 0.007 Å
• b: 6.8665 ± 0.0017 Å
• c: 13.432 ± 0.004 Å
• α: 90°
• β: 93.45 ± 0.005°
• γ: 90°
• Cell volume: 2432.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No