Information card for entry 4082346

Structure parameters

• Formula: C45 H47 Cl F12 N O2 P2 Rh Sb2
• Calculated formula: C45 H47 Cl F12 N O2 P2 Rh Sb2
• SMILES: [Rh]12345([P](c6ccccc6)(c6ccccc6)[C@@H](C[P]1(c1ccccc1)c1ccccc1)C)([O]=N(=O)/C=C/c1ccc(Cl)cc1)[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: Metal‒Nitroalkene andaci-Nitro Intermediates in Catalytic Enantioselective Friedel‒Crafts Reactions of Indoles withtrans-β-Nitrostyrenes
• Authors of publication: Carmona, Daniel; Méndez, Isabel; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 443
• a: 13.4677 ± 0.0012 Å
• b: 13.0152 ± 0.0012 Å
• c: 14.0491 ± 0.0013 Å
• α: 90°
• β: 101.833 ± 0.002°
• γ: 90°
• Cell volume: 2410.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No