Information card for entry 1505811

Structure parameters

• Formula: C31 H36 B2 P2
• Calculated formula: C31 H36 B2 P2
• SMILES: [P]([BH3])([C@@H]1[C@@H]2C[C@H]([P]([BH3])(c3ccccc3)c3ccccc3)[C@H](C1)C2)(c1ccccc1)c1ccccc1
• 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: 9.015 ± 0.006 Å
• b: 9.235 ± 0.006 Å
• c: 32.8 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2731 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No