Information card for entry 7061212

Structure parameters

• Formula: C15 H7 F4 I O
• Calculated formula: C15 H7 F4 I O
• Title of publication: Halogen atom effect of fluorinated tolanes on their luminescence characteristics
• Authors of publication: Morita, Masato; Yamada, Shigeyuki; Konno, Tsutomu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 4562 - 4569
• a: 16.2038 ± 0.0006 Å
• b: 6.1025 ± 0.0002 Å
• c: 28.4996 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2818.15 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No