Information card for entry 4108560

Structure parameters

• Formula: C28 H47 Fe P Si2
• Calculated formula: C28 H47 Fe P Si2
• SMILES: [Fe]123456789[c]%10([Si](C)(C)C)[cH]1[cH]2[cH]3[c]4%10CP([C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C[c]19[c]5([Si](C)(C)C)[cH]6[cH]7[cH]81
• Title of publication: 2-Phospha[3]ferrocenophanes with Planar Chirality: Synthesis and Use in Enantioselective Organocatalytic [3 + 2] Cyclizations
• Authors of publication: Arnaud Voituriez; Armen Panossian; Nicolas Fleury-Brégeot; Pascal Retailleau; Angela Marinetti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14030 - 14031
• a: 9.243 ± 0.002 Å
• b: 17.038 ± 0.003 Å
• c: 18.927 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2980.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No