Information card for entry 7058419

Structure parameters

• Formula: C33 H35 B F2 N2 O
• Calculated formula: C33 H35 B F2 N2 O
• Title of publication: Mechanofluorochromic behaviors of triphenylamine functionalized salicylaldimine difluoroboron complexes
• Authors of publication: Sun, Jingbo; Yang, Hao; Simalou, Oudjaniyobi; Lv, Kuo; Zhai, Lu; Zhao, Jinyu; Lu, Ran
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 10134
• a: 15.9182 ± 0.001 Å
• b: 10.3031 ± 0.0006 Å
• c: 17.9521 ± 0.001 Å
• α: 90°
• β: 98.911 ± 0.003°
• γ: 90°
• Cell volume: 2908.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0524
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1154
• 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