Information card for entry 7061211

Structure parameters

• Formula: C15 H7 Cl F4 O
• Calculated formula: C15 H7 Cl F4 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: 6.2618 ± 0.0003 Å
• b: 7.4426 ± 0.0003 Å
• c: 29.3159 ± 0.001 Å
• α: 90.733 ± 0.003°
• β: 92.011 ± 0.003°
• γ: 97.051 ± 0.004°
• Cell volume: 1354.87 ± 0.1 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 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: 0.0998
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No