Information card for entry 7120194

Structure parameters

• Common name: BODIPY
• Formula: C26 H21 B F2 N2
• Calculated formula: C26 H21 B F2 N2
• SMILES: [B]1(F)(F)[n]2c(=C(c3c(C)c4c5ccccc5ccc4n13)c1ccccc1)c(C)cc2C
• Title of publication: Naphtho[b]-fused BODIPYs: one pot Suzuki-Miyaura-Knoevenagel synthesis and photophysical properties
• Authors of publication: Zhou, Zhikuan; Zhou, Jianping; Gai, Lizhi; Yuan, Aihua; Shen, Zhen
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 21.11 ± 0.008 Å
• b: 10.94 ± 0.004 Å
• c: 20.341 ± 0.012 Å
• α: 90°
• β: 118.052 ± 0.003°
• γ: 90°
• Cell volume: 4146 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No