Information card for entry 7120249

Structure parameters

• Formula: C22 H25 B F2 N2
• Calculated formula: C22 H25 B F2 N2
• SMILES: F[B]1(F)[n]2c(c(cc2C)C)=C(c2c(cc(cc2C)C)C)c2n1c(cc2C)C
• Title of publication: β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays
• Authors of publication: Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.799 ± 0.002 Å
• b: 13.378 ± 0.004 Å
• c: 19.206 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2003.9 ± 0.9 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No