Information card for entry 4024891

Structure parameters

• Common name: azomethine
• Formula: C25 H10 B F10 N
• Calculated formula: C25 H10 B F10 N
• SMILES: [B]1(c2ccccc2C=[N]1c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion
• Authors of publication: Junro Yoshino; Naokazu Kano; Takayuki Kawashima
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7496 - 7503
• a: 10.059 ± 0.005 Å
• b: 10.511 ± 0.005 Å
• c: 10.888 ± 0.006 Å
• α: 101.811 ± 0.005°
• β: 114.01 ± 0.006°
• γ: 90.459 ± 0.005°
• Cell volume: 1024 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No