Information card for entry 7127483

Structure parameters

• Formula: C23 H22 F6 N3 P
• Calculated formula: C23 H22 F6 N3 P
• SMILES: C(=C\c1ccc(cc1)N(C)C)(\C#N)c1ccc(cc1)c1cc[n+](cc1)C.[F-][P](F)(F)(F)(F)F
• Title of publication: Optimising molecular rotors to AIE fluorophores for mitochondria uptake and retention.
• Authors of publication: OwYong, Tze Cin; Ding, Siyang; Wu, Na; Fellowes, Thomas; Chen, Sijie; White, Jonathan M.; Wong, Wallace W. H.; Hong, Yuning
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 94
• Pages of publication: 14853 - 14856
• a: 30.1428 ± 0.0006 Å
• b: 6.1951 ± 0.0001 Å
• c: 23.4009 ± 0.0004 Å
• α: 90°
• β: 93.329 ± 0.002°
• γ: 90°
• Cell volume: 4362.46 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2844
• Weighted residual factors for all reflections included in the refinement: 0.2856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No