Information card for entry 4024898

Structure parameters

• Formula: C31 H13 B F10 N2
• Calculated formula: C31 H13 B F10 N2
• SMILES: [B]1(c2ccccc2C=[N]1n1c2ccccc2c2ccccc12)(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: 10.028 ± 0.003 Å
• b: 10.847 ± 0.004 Å
• c: 12.469 ± 0.004 Å
• α: 72.988 ± 0.013°
• β: 74.807 ± 0.013°
• γ: 77.869 ± 0.014°
• Cell volume: 1238.5 ± 0.7 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: 0.059
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No