Information card for entry 1554368

Structure parameters

• Common name: 5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline
• Chemical name: 5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline
• Formula: C28 H17 F3 N2 O1.01
• Calculated formula: C28 H17 F3 N2 O
• Title of publication: Rh-Catalyzed regioselective C‒H activation and C‒C bond formation: synthesis and photophysical studies of indazolo[2,3-a]quinolines
• Authors of publication: Vivek Kumar, Sundaravel; Ellairaja, Sundaram; Satheesh, Vanaparthi; Sivasamy Vasantha, Vairathevar; Punniyamurthy, Tharmalingam
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 18
• Pages of publication: 2630
• a: 7.933 ± 0.0006 Å
• b: 11.1848 ± 0.0007 Å
• c: 13.1762 ± 0.001 Å
• α: 72.919 ± 0.006°
• β: 73.841 ± 0.006°
• γ: 84.499 ± 0.005°
• Cell volume: 1073.26 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No