Information card for entry 1565431

Structure parameters

• Formula: C29 H23 F6 N2 O2 P
• Calculated formula: C29 H23 F6 N2 O2 P
• Title of publication: An unexpected non-conjugated AIEgen with a discrete dimer for pure intermolecular through-space charge transfer emission
• Authors of publication: Jiang, Xiujie; Tao, Wei; Chen, Cheng; Xu, Guoyong; Zhang, Haoke; Wei, Peifa
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.1654 ± 0.0006 Å
• b: 11.5906 ± 0.0007 Å
• c: 12.2355 ± 0.0008 Å
• α: 96.138 ± 0.005°
• β: 97.787 ± 0.005°
• γ: 91.155 ± 0.005°
• Cell volume: 1279.65 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No