Information card for entry 1505810

Structure parameters

• Formula: C31 H26 O2 P2
• Calculated formula: C31 H26 O2 P2
• Title of publication: Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.
• Authors of publication: Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 363 - 366
• a: 32.3106 ± 0.0008 Å
• b: 12.0276 ± 0.0003 Å
• c: 12.5523 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4878.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No