Information card for entry 7038780

Structure parameters

• Formula: C43 H39 B F10 N P
• Calculated formula: C43 H39 B F10 N P
• SMILES: P(C[C@@](C=C)(C)[C@H](N(C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.P(C[C@](C=C)(C)[C@@H](N(C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.
• Authors of publication: Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6820 - 6823
• a: 12.2994 ± 0.0002 Å
• b: 12.9115 ± 0.0002 Å
• c: 24.6602 ± 0.0005 Å
• α: 90°
• β: 91.954 ± 0.001°
• γ: 90°
• Cell volume: 3913.85 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No