Information card for entry 7001243

Structure parameters

• Formula: C27 H28 Fe O2 Si
• Calculated formula: C27 H28 Fe O2 Si
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family
• Authors of publication: Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3716 - 3730
• a: 10.1788 ± 0.0003 Å
• b: 13.0739 ± 0.0004 Å
• c: 17.6425 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2347.8 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No