Information card for entry 1557633

Structure parameters

• Formula: C26 H10 B Br F15 N
• Calculated formula: C26 H10 B Br F15 N
• SMILES: CN(C)c1ccc(cc1)Br.B(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions
• Authors of publication: Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 4305 - 4311
• a: 7.3 ± 0.005 Å
• b: 11.867 ± 0.008 Å
• c: 15.598 ± 0.009 Å
• α: 78.16 ± 0.04°
• β: 80.45 ± 0.04°
• γ: 88.78 ± 0.05°
• Cell volume: 1304.1 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No