Information card for entry 7234635

Structure parameters

• Formula: C25 H19 B F2 N2 O
• Calculated formula: C25 H19 B F2 N2 O
• Title of publication: beta-Iminoenolate boron complex with terminal triphenylamine exhibiting polymorphism and mechanofluorochromism
• Authors of publication: Zhenqi Zhang; Zhu Wu; Jingbo Sun; Boqi Yao; Pengchong Xue; Ran Lu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 2854 - 2861
• a: 6.5345 ± 0.0013 Å
• b: 13.047 ± 0.003 Å
• c: 24.3 ± 0.005 Å
• α: 90°
• β: 95.76 ± 0.03°
• γ: 90°
• Cell volume: 2061.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No