Information card for entry 7124013

Structure parameters

• Formula: C44 H38 O2 P2 S2
• Calculated formula: C44 H38 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: 23.093 ± 0.0005 Å
• b: 8.8734 ± 0.0002 Å
• c: 18.7652 ± 0.0004 Å
• α: 90°
• β: 107.331 ± 0.0009°
• γ: 90°
• Cell volume: 3670.66 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No