Information card for entry 1569716

Structure parameters

• Chemical name: Br, C34 H26 P, C2 H6 O, C2 H6 O, H2 O
• Formula: C74 H74 Br2 O5 P2
• Calculated formula: C74 H74 Br2 O5 P2
• 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: 25.843 ± 0.0019 Å
• b: 11.7629 ± 0.0008 Å
• c: 22.1155 ± 0.0017 Å
• α: 90°
• β: 114.085 ± 0.003°
• γ: 90°
• Cell volume: 6137.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0678
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No