Information card for entry 4035424

Structure parameters

• Formula: C41 H34 O2 P2
• Calculated formula: C41 H34 O2 P2
• SMILES: P(c1cccc2[C@H](OC3(O[C@@H](c4c3c(P(c3ccccc3)c3ccccc3)ccc4)C)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: 10.2427 ± 0.0017 Å
• b: 27.713 ± 0.005 Å
• c: 12.453 ± 0.002 Å
• α: 90°
• β: 105.65 ± 0.003°
• γ: 90°
• Cell volume: 3403.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No