Information card for entry 7158673

Structure parameters

• Chemical name: FY-005_3
• Formula: C18.5 H22 F12 N3 O1.5 P
• Calculated formula: C18.5 H22 F12 N3 O1.5 P
• 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: 55.7279 ± 0.0019 Å
• b: 8.6632 ± 0.0002 Å
• c: 9.3599 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4518.8 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No