Information card for entry 4126765

Structure parameters

• Formula: C27 H26 Br2 Co P2
• Calculated formula: C27 H26 Br2 Co P2
• SMILES: C1CC[P](c2ccccc2)(c2ccccc2)[Co]([P]1(c1ccccc1)c1ccccc1)(Br)Br
• Title of publication: Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.
• Authors of publication: Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.5599 ± 0.0009 Å
• b: 15.7417 ± 0.0015 Å
• c: 17.1 ± 0.0015 Å
• α: 90°
• β: 93.948 ± 0.004°
• γ: 90°
• Cell volume: 2567.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No