Information card for entry 4024896

Structure parameters

• Formula: C20 H8 B F10 N O
• Calculated formula: C20 H8 B F10 N O
• SMILES: [B]1(c2ccccc2C=[N]1OC)(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: 6.725 ± 0.005 Å
• b: 9.16 ± 0.008 Å
• c: 15.492 ± 0.013 Å
• α: 96.728 ± 0.012°
• β: 98.789 ± 0.012°
• γ: 97.675 ± 0.012°
• Cell volume: 925.4 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No