Information card for entry 4035423

Structure parameters

• Formula: C40 H32 O2 P2
• Calculated formula: C40 H32 O2 P2
• SMILES: P(c1cccc2[C@H](O[C@]3(OCc4c3c(P(c3ccccc3)c3ccccc3)ccc4)c12)C)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.
• Authors of publication: Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 20
• Pages of publication: 12838 - 12846
• a: 11.283 ± 0.005 Å
• b: 8.734 ± 0.004 Å
• c: 16.552 ± 0.008 Å
• α: 90°
• β: 92.249 ± 0.008°
• γ: 90°
• Cell volume: 1629.9 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No