Information card for entry 7120043

Structure parameters

• Chemical name: BODIPY
• Formula: C30 H45 B F2 N2 Si2
• Calculated formula: C30 H45 B F2 N2 Si2
• SMILES: [B]1(F)(F)[n]2c(c(c(c2=C(c2c(c(c(C)n12)C#C[Si](C)(C)C)C)CCCCCCC)C)C#C[Si](C)(C)C)C
• 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: 14.8182 ± 0.0016 Å
• b: 15.3372 ± 0.0016 Å
• c: 17.1281 ± 0.0018 Å
• α: 80.755 ± 0.002°
• β: 77.263 ± 0.002°
• γ: 61.281 ± 0.001°
• Cell volume: 3323 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1586
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No