Information card for entry 1502182

Structure parameters

• Formula: C36 H32 B2 F4 N4
• Calculated formula: C36 H32 B2 F4 N4
• SMILES: F[B]1(F)[n]2c(cc(c2)c2cn3c(c2)C(=c2[n](ccc2)[B]3(F)F)c2c(cc(cc2C)C)C)=C(c2n1ccc2)c1c(cc(cc1C)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: 8.4027 ± 0.0013 Å
• b: 13.081 ± 0.002 Å
• c: 13.958 ± 0.002 Å
• α: 90°
• β: 99.794 ± 0.003°
• γ: 90°
• Cell volume: 1511.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No