Information card for entry 2007029

Structure parameters

• Chemical name: (2R,3R)-2,3-dibenzyloxy-1,4-bis(diphenylphosphino)butane
• Formula: C42 H40 O2 P2
• Calculated formula: C42 H40 O2 P2
• SMILES: P(C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (2<i>R</i>,3<i>R</i>)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane
• Authors of publication: Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pereira, M. M.; Serra, M. Elisa Silva
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 264 - 266
• a: 9.545 ± 0.002 Å
• b: 16.271 ± 0.004 Å
• c: 22.797 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3540.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1191
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No