Information card for entry 7124015

Structure parameters

• Formula: C42 H34 O2 P2 S2
• Calculated formula: C42 H34 O2 P2 S2
• Title of publication: Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.
• Authors of publication: Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.7505 ± 0.0004 Å
• b: 20.8649 ± 0.0011 Å
• c: 19.0714 ± 0.0009 Å
• α: 90°
• β: 92.892 ± 0.002°
• γ: 90°
• Cell volume: 3477.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No