Information card for entry 7120044

Structure parameters

• Chemical name: BODIPY dimer
• Formula: C54 H60 B2 F4 N4 Si2
• Calculated formula: C54 H60 B2 F4 N4 Si2
• Title of publication: One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers
• Authors of publication: Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 23.7144 ± 0.0019 Å
• b: 16.4758 ± 0.0013 Å
• c: 29.359 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11471 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2273
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.3584
• Weighted residual factors for all reflections included in the refinement: 0.4482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No