Information card for entry 7064153

Structure parameters

• Chemical name: 5-ethynyl-2,2-diphenyl-1,2-dihydroquinoline N-oxyl
• Formula: C23 H16 N O
• Calculated formula: C23 H16 N O
• Title of publication: Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position
• Authors of publication: Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 12.2498 ± 0.0001 Å
• b: 13.7016 ± 0.0002 Å
• c: 9.7862 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.53 ± 0.03 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No