Information card for entry 7003781

Structure parameters

• Formula: C40 H36 Cl2 P2 S2
• Calculated formula: C40 H36 Cl2 P2 S2
• Title of publication: Diphosphine sulfides derived from 2,2′-biphosphole: novel chiral S,S ligands for palladium-catalyzed asymmetric allylic substitution
• Authors of publication: Robé, Emmanuel; Perlikowska, Wieslawa; Lemoine, Céline; Diab, Lisa; Vincendeau, Sandrine; Mikolajczyk, Marian; Daran, Jean-Claude; Gouygou, Maryse
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2894 - 2898
• a: 30.136 ± 0.002 Å
• b: 6.5916 ± 0.0004 Å
• c: 22.946 ± 0.0013 Å
• α: 90 ± 0.005°
• β: 127.764 ± 0.008°
• γ: 90 ± 0.006°
• Cell volume: 3603.4 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No