Information card for entry 7112585

Structure parameters

• Formula: C24 H20 P2 S
• Calculated formula: C24 H20 P2 S
• SMILES: S=P(P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up
• Authors of publication: Peter E. Sues; Alan J. Lough; Robert H. Morris
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4707
• a: 9.29 ± 0.0012 Å
• b: 13.621 ± 0.0017 Å
• c: 16.021 ± 0.002 Å
• α: 90°
• β: 91.45 ± 0.003°
• γ: 90°
• Cell volume: 2026.6 ± 0.4 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 4
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7112266
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No