Information card for entry 7158671

Structure parameters

• Formula: C17 H17 F6 N3 O
• Calculated formula: C17 H17 F6 N3 O
• SMILES: FC(F)(F)c1c2c(nc(c1)C(F)(F)F)cc(NCCN1CCOCC1)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: 9.5567 ± 0.0001 Å
• b: 18.5529 ± 0.0003 Å
• c: 9.7023 ± 0.0001 Å
• α: 90°
• β: 91.647 ± 0.001°
• γ: 90°
• Cell volume: 1719.55 ± 0.04 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: 0.0424
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No