Information card for entry 1570816

Structure parameters

• Formula: C43 H37 B Cl2 F15 N O2
• Calculated formula: C43 H37 B Cl2 F15 N O2
• Title of publication: Single electron reduction of NHC-CO₂-borane compounds.
• Authors of publication: Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 3165 - 3173
• a: 32.364 ± 0.007 Å
• b: 11.022 ± 0.002 Å
• c: 23.039 ± 0.005 Å
• α: 90°
• β: 93.043 ± 0.01°
• γ: 90°
• Cell volume: 8207 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No