Information card for entry 1502183

Structure parameters

• Formula: C30 H23 B F2 N4 O4
• Calculated formula: C30 H23 B F2 N4 O4
• SMILES: F[B]1(F)n2cc(c3ccc(cc3)N(=O)=O)cc2C(c2c(cc(cc2C)C)C)=c2[n]1cc(c2)c1ccc(cc1)N(=O)=O
• 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: 7.602 ± 0.002 Å
• b: 24.077 ± 0.006 Å
• c: 14.334 ± 0.004 Å
• α: 90°
• β: 102.602 ± 0.005°
• γ: 90°
• Cell volume: 2560.4 ± 1.2 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: 0.0881
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1484
• 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