Information card for entry 7120250

Structure parameters

• Formula: C23 H25 B F2 N2 O
• Calculated formula: C23 H25 B F2 N2 O
• SMILES: F[B]1(F)[n]2c(=C(c3n1c(cc3C)C)c1c(cc(cc1C)C)C)c(c(C=O)c2C)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: 12.085 ± 0.003 Å
• b: 13.471 ± 0.004 Å
• c: 25.017 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4072.7 ± 1.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No