Information card for entry 2221698

Structure parameters

• Chemical name: (<i>S</i>)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole
• Formula: C38 H28 O4 P2
• Calculated formula: C38 H28 O4 P2
• SMILES: P(c1ccc2OCOc2c1c1c(P(c2ccccc2)c2ccccc2)ccc2OCOc12)(c1ccccc1)c1ccccc1
• Title of publication: (<i>S</i>)-({-})-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole
• Authors of publication: Jian, Ling-Yan; He, Xiao-Jing; Sun, Ya-Xin; Jiang, Qing-Hua; Zhu, Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1153
• a: 10.4735 ± 0.001 Å
• b: 15.8362 ± 0.0015 Å
• c: 18.7349 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3107.4 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes