Information card for entry 1503602

Structure parameters

• Formula: C21.75 H15 B0.5 Cl2 F N
• Calculated formula: C21.75 H15 B0.5 Cl2 F N
• Title of publication: Facile Synthesis of Biphenyl-Fused BODIPY and Its Property.
• Authors of publication: Hayashi, Yosuke; Obata, Naoki; Tamaru, Masatomo; Yamaguchi, Shigeru; Matsuo, Yutaka; Saeki, Akinori; Seki, Shu; Kureishi, Yuka; Saito, Shohei; Yamaguchi, Shigehiro; Shinokubo, Hiroshi
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 866 - 869
• a: 10.2548 ± 0.0011 Å
• b: 13.2868 ± 0.0015 Å
• c: 14.5076 ± 0.0016 Å
• α: 112.753 ± 0.002°
• β: 97.302 ± 0.002°
• γ: 92.737 ± 0.002°
• Cell volume: 1797.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No