Information card for entry 7126169

Structure parameters

• Formula: C28 H19 P
• Calculated formula: C28 H19 P
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccc2c3c1ccc1cccc(c31)cc2
• Title of publication: Diphenyl-1-pyrenylphosphine: photo-triggered AIE/ACQ transition with remarkable third-order nonlinear optical signal change.
• Authors of publication: Xing, Chang; Liu, Jianxun; Chen, Fang; Li, Yuanyuan; Lv, Changjian; Peng, Qiuchen; Hou, Hongwei; Li, Kai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 30
• Pages of publication: 4220 - 4223
• a: 9.0803 ± 0.0011 Å
• b: 21.343 ± 0.003 Å
• c: 21.376 ± 0.003 Å
• α: 90°
• β: 99.849 ± 0.005°
• γ: 90°
• Cell volume: 4081.6 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No