Information card for entry 7105685

Structure parameters

• Formula: C21 H41 Cl3 P2 S
• Calculated formula: C21 H41 Cl3 P2 S
• Title of publication: Design and synthesis of a novel three-hindered quadrant bisphosphine ligand and its application in asymmetric hydrogenation
• Authors of publication: Huang, Kexuan; Zhang, Xiaowei; Emge, Thomas J.; Hou, Guohua; Cao, Bonan; Zhang, Xumu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 8555 - 8557
• a: 8.4109 ± 0.0005 Å
• b: 15.8263 ± 0.001 Å
• c: 39.84 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5303.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No