Information card for entry 4108561

Structure parameters

• Formula: C24 H39 Fe P Si2
• Calculated formula: C24 H39 Fe P Si2
• SMILES: [Fe]123456789[cH]%10[cH]8[cH]9[c]6([Si](C)(C)C)[c]3%10CP(C3CCCCC3)C[c]37[cH]1[cH]5[cH]4[c]23[Si](C)(C)C
• 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: 8.789 ± 0.004 Å
• b: 12.145 ± 0.005 Å
• c: 13.013 ± 0.005 Å
• α: 90°
• β: 108.875 ± 0.005°
• γ: 90°
• Cell volume: 1314.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No