Information card for entry 7251998

Structure parameters

• Formula: C25 H15 Cl3 F2 N2 O
• Calculated formula: C25 H15 Cl3 F2 N2 O
• Title of publication: Rh(iii)-catalyzed oxidative C–H annulation of 6-arylpyridazin-3(2H)-ones: direct access to diarylpyridazino[6,1-a]isoquinolin-5-ium-3-olates
• Authors of publication: Ittamalla, Chaitanya; Mukundram, N. S. S.; Nagireddy, Jyothirmai; Sridhar, B.; Reddy, B. V. Subba
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 26078 - 26082
• a: 13.474 ± 0.004 Å
• b: 13.727 ± 0.004 Å
• c: 12.998 ± 0.005 Å
• α: 90°
• β: 109.823 ± 0.012°
• γ: 90°
• Cell volume: 2261.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No