Information card for entry 7158674

Structure parameters

• Formula: C23 H28 F6 N4 O2
• Calculated formula: C23 H28 F6 N4 O2
• SMILES: FC(F)(F)c1c2c(nc(c1)C(F)(F)F)cc(N(CCN1CCOCC1)CCN1CCOCC1)cc2
• Title of publication: Acid Responsiveness of Emissive Morpholinyl Aminoquinolines and Their Use for Cell Fluorescence Imaging
• Authors of publication: Fukumoto, Yuri; Umeno, Tomohiro; Kuramochi, Hina; Hamada, Koichi; Matsumoto, Shota; Suzuki, Noriko; Usui, Kazuteru; Mizutani, Akihiro; Karasawa, Satoru
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 5.5656 ± 0.0002 Å
• b: 18.4733 ± 0.0005 Å
• c: 22.5869 ± 0.0007 Å
• α: 90°
• β: 90.732 ± 0.003°
• γ: 90°
• Cell volume: 2322.08 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No