Information card for entry 7120193

Structure parameters

• Formula: C33 H23 B F2 N2
• Calculated formula: C33 H23 B F2 N2
• SMILES: F[B]1(F)[n]2c3c(c4ccccc4cc3)c(c2=C(c2n1c1c(c3c(cc1)cccc3)c2C)c1ccccc1)C
• 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: 16.14 ± 0.005 Å
• b: 14.391 ± 0.004 Å
• c: 21.159 ± 0.006 Å
• α: 90°
• β: 103.057 ± 0.003°
• γ: 90°
• Cell volume: 4788 ± 2 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: 0.1345
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No