Information card for entry 1517973

Structure parameters

• Formula: C41 H48 Cl2 O4 P2 Rh2
• Calculated formula: C41 H48 Cl2 O4 P2 Rh2
• SMILES: [Rh]123([P@]4(c5ccccc5O[C@H]4C[CH]1=[CH]2c1ccccc1)C(C)(C)C)O[Rh]12([P@@]4([C@@H](Oc5c4cccc5)C[CH]2=[CH]1c1ccccc1)C(C)(C)C)O3.ClCCl
• Title of publication: Development of New P-Chiral P,π-Dihydrobenzooxaphosphole Hybrid Ligands for Asymmetric Catalysis.
• Authors of publication: Sieber, Joshua D.; Chennamadhavuni, Divya; Fandrick, Keith R.; Qu, Bo; Han, Zhengxu S.; Savoie, Jolaine; Ma, Shengli; Samankumara, Lalith P.; Grinberg, Nelu; Lee, Heewon; Song, Jinhua J.; Senanayake, Chris H.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5494 - 5497
• a: 10.7291 ± 0.0002 Å
• b: 14.4847 ± 0.0003 Å
• c: 26.2864 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4085.11 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0249
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9677
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No