Information card for entry 1569730

Structure parameters

• Formula: C46 H34 B F4 O2 P
• Calculated formula: C46 H34 B F4 O2 P
• SMILES: [P+]1(c2c(c3c1ccc1c(cccc31)c1ccc(OC)cc1)c1cccc(c3ccc(OC)cc3)c1cc2)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.
• Authors of publication: Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 10446 - 10457
• a: 11.5658 ± 0.0005 Å
• b: 14.0383 ± 0.0007 Å
• c: 12.2223 ± 0.0006 Å
• α: 90°
• β: 116.441 ± 0.001°
• γ: 90°
• Cell volume: 1776.88 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No