Information card for entry 7248339

Structure parameters

• Formula: C23 H17 F3 N2 O3 S
• Calculated formula: C23 H17 F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[n+]12c(c3c(cc2c2ccc(cc2)C)cccc3)cn2c1cccc2
• Title of publication: Novel mono substituted pyridoimidazoisoquinoliniums via a silver-catalyzed intramolecular cyclization and their applications in cellular imaging
• Authors of publication: Kawakubo, Masato; Inoh, Yoshikazu; Murata, Yuki; Matsumura, Mio; Furuno, Tadahide; Yasuike, Shuji
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 9758 - 9762
• a: 7.5716 ± 0.0002 Å
• b: 10.5701 ± 0.0003 Å
• c: 13.3435 ± 0.0004 Å
• α: 81.216 ± 0.002°
• β: 83.633 ± 0.002°
• γ: 76.137 ± 0.002°
• Cell volume: 1021.57 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0382
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0986
• 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