Information card for entry 7105090

Structure parameters

• Formula: C35 H37 B Fe O S
• Calculated formula: C35 H37 B Fe O S
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[c]3([c]49B(c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C)S(=O)c1ccc(cc1)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Facile syntheses of dissymmetric ferrocene-functionalized Lewis acids and acid‒base pairs
• Authors of publication: Ian R. Morgan; Angela Di Paolo; Dragoslav Vidovic; Ian A. Fallis; Simon Aldridge
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7288 - 7290
• a: 9.3714 ± 0.0002 Å
• b: 11.8431 ± 0.0002 Å
• c: 25.5848 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2839.57 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No