Information card for entry 1502185

Structure parameters

• Formula: C32 H29 B F2 N4 O2
• Calculated formula: C32 H29 B F2 N4 O2
• SMILES: F[B]1(F)n2c(C(c3c(cc(cc3C)C)C)=c3[n]1cc(c1ccc(N(=O)=O)cc1)c3)cc(c2)c1ccc(cc1)N(C)C
• Title of publication: Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.
• Authors of publication: Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 2992 - 2995
• a: 7.676 ± 0.005 Å
• b: 24.661 ± 0.005 Å
• c: 14.676 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.684 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2730 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.146
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No