Information card for entry 7156732

Structure parameters

• Common name: 1
• Chemical name: 1
• Formula: C18 H6 B F5 N2 O0 S4
• Calculated formula: C18 H6 B F5 N2 S4
• Title of publication: Thieno[3,2-b]thiophene fused BODIPYs: synthesis, near-infrared luminescence and photosensitive properties.
• Authors of publication: Sun, Yijuan; Qu, Zhirong; Zhou, Zhikuan; Gai, Lizhi; Lu, Hua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3617 - 3622
• a: 8.209 ± 0.002 Å
• b: 9.719 ± 0.003 Å
• c: 12.587 ± 0.005 Å
• α: 111.424 ± 0.006°
• β: 104.496 ± 0.007°
• γ: 96.556 ± 0.004°
• Cell volume: 881.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No