Information card for entry 1569725

Structure parameters

• Formula: C64 H56 P2
• Calculated formula: C64 H56 P2
• SMILES: c1(P(c2ccccc2)c2ccccc2)c(c2c(P(c3ccccc3)c3ccccc3)ccc3c2ccc(c3)c2ccc(cc2)C(C)(C)C)c2ccc(cc2cc1)c1ccc(cc1)C(C)(C)C
• 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: 32.764 ± 0.003 Å
• b: 8.5089 ± 0.0008 Å
• c: 19.653 ± 0.002 Å
• α: 90°
• β: 118.644 ± 0.006°
• γ: 90°
• Cell volume: 4808.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No