Information card for entry 7233925

Structure parameters

• Formula: C25 H17 B F2 N2 O
• Calculated formula: C25 H17 B F2 N2 O
• SMILES: [B]1([n]2c(C=C(c3ccc(cc3)n3c4ccccc4c4ccccc34)O1)cccc2)(F)F
• Title of publication: Mechanofluorochromic behaviors of beta-iminoenolate boron complexes functionalized with carbazole
• Authors of publication: Zhenqi Zhang; Pengchong Xue; Peng Gong; Gonghe Zhang; Jiang Peng; Ran Lu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 9543 - 9551
• a: 14.306 ± 0.003 Å
• b: 10.163 ± 0.002 Å
• c: 13.511 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1964.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No