Information card for entry 4024895

Structure parameters

• Formula: C34 H16 B Cl2 F10 N
• Calculated formula: C34 H16 B Cl2 F10 N
• SMILES: [B]1(c2ccccc2C=[N]1c1cc2cc3ccccc3cc2cc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl
• 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: 12.668 ± 0.007 Å
• b: 14.219 ± 0.008 Å
• c: 16.583 ± 0.01 Å
• α: 90°
• β: 90.515 ± 0.003°
• γ: 90°
• Cell volume: 2987 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No