Information card for entry 1569727

Structure parameters

• Chemical name: (6,6'-bis(4-methoxyphenyl)-[1,1'-binaphthalene]-2,2'-diyl)bis(diphenylphosphane)
• Formula: C58 H44 O2 P2
• Calculated formula: C58 H44 O2 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: 9.2214 ± 0.0009 Å
• b: 13.2109 ± 0.0012 Å
• c: 18.8909 ± 0.0016 Å
• α: 95.7 ± 0.003°
• β: 99.414 ± 0.003°
• γ: 101.148 ± 0.004°
• Cell volume: 2207 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No