Information card for entry 4518129

Structure parameters

• Formula: C38 H32 B2 Cl2 F4 N4
• Calculated formula: C38 H32 B2 Cl2 F4 N4
• Title of publication: Conjugated BODIPY Oligomers with Controllable Near-Infrared Absorptions as Promising Phototheranostic Agents through Excited-State Intramolecular Rotations.
• Authors of publication: Wu, Qinghua; Zhu, Yucheng; Fang, Xingbao; Hao, Xiangyu; Jiao, Lijuan; Hao, Erhong; Zhang, Weian
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 42
• Pages of publication: 47208 - 47219
• a: 9.9434 ± 0.0008 Å
• b: 20.0627 ± 0.0015 Å
• c: 11.3209 ± 0.001 Å
• α: 90°
• β: 107.969 ± 0.003°
• γ: 90°
• Cell volume: 2148.3 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No