Information card for entry 7120247

Structure parameters

• Formula: C24 H25 B F2 N2 O2
• Calculated formula: C24 H25 B F2 N2 O2
• SMILES: F[B]1(F)[n]2c(=C(c3n1c(c(C=O)c3C)C)c1c(C)cc(cc1C)C)c(C)c(c2C)C=O
• 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: 17.216 ± 0.007 Å
• b: 8.43 ± 0.003 Å
• c: 15.356 ± 0.006 Å
• α: 90°
• β: 108.36 ± 0.004°
• γ: 90°
• Cell volume: 2115.2 ± 1.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0906
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No