Information card for entry 4065499

Structure parameters

• Formula: C59 H79 F12 O P2 Rh Sb2
• Calculated formula: C47 H51 F12 O P2 Rh Sb2
• SMILES: [Rh]12345([P](c6ccccc6)(c6ccccc6)[C@@H](C[P]1(c1ccccc1)c1ccccc1)Cc1ccccc1)([O]=CC(=C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Enantioselective Catalysts for the Diels‒Alder Reaction between Methacrolein and Cyclopentadiene Based on the Chiral Fragment (η5-C5Me5)M(chiral diphosphane) (M = Rh, Ir)
• Authors of publication: Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lamata, M. Pilar; Lahoz, Fernando; Garc\?ía-Orduña, Pilar; Oro, L. A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6661
• a: 11.1778 ± 0.0014 Å
• b: 15.922 ± 0.002 Å
• c: 30.769 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5476 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No