Information card for entry 4024894

Structure parameters

• Formula: C23 H14 B F10 N
• Calculated formula: C23 H14 B F10 N
• SMILES: [B]1([N](=Cc2c1cccc2)CCCC)(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: 7.023 ± 0.003 Å
• b: 18.157 ± 0.008 Å
• c: 33.402 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4259 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No