Information card for entry 7001242

Structure parameters

• Formula: C19 H28 Fe O3 Si
• Calculated formula: C19 H28 Fe O3 Si
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([c]5([Si](C)(C)C)[cH]6[cH]7[cH]81)[C@@H]1O[C@@H](CCO1)COC
• 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: 9.4036 ± 0.0002 Å
• b: 10.1503 ± 0.0002 Å
• c: 11.0179 ± 0.0003 Å
• α: 102.777 ± 0.001°
• β: 104.675 ± 0.001°
• γ: 91.046 ± 0.001°
• Cell volume: 989.07 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No