Information card for entry 7160389

Structure parameters

• Formula: C52 H38 N6 O2
• Calculated formula: C52 H38 N6 O2
• Title of publication: 3-Keto-indazole derivatives exhibiting multi-coloured phosphorescence.
• Authors of publication: Moriyama, Tetsuya; Kobayashi, Ryota; Chiba, Takayuki; Okada, Shuji; Yamakado, Ryohei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4902 - 4908
• a: 8.0437 ± 0.0002 Å
• b: 13.008 ± 0.0003 Å
• c: 18.6634 ± 0.0004 Å
• α: 87.033 ± 0.002°
• β: 87.389 ± 0.002°
• γ: 84.729 ± 0.002°
• Cell volume: 1940.3 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No