Information card for entry 2204481

Structure parameters

• Chemical name: (S)-(-)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi- 1,3-benzodioxole
• Formula: C42 H36 O4 P2
• Calculated formula: C42 H36 O4 P2
• SMILES: CC1(C)Oc2c(O1)c(c1c3OC(Oc3ccc1P(c1ccccc1)c1ccccc1)(C)C)c(cc2)P(c1ccccc1)c1ccccc1
• Title of publication: (<i>S</i>)-(–)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-benzodioxole
• Authors of publication: Jiang Cheng; Yan-Hui Sun; Yi Pan; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2133 - o2134
• a: 9.7007 ± 0.0009 Å
• b: 20.774 ± 0.002 Å
• c: 8.9149 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes