Information card for entry 7001247

Structure parameters

• Formula: C39 H45 Fe N O Si
• Calculated formula: C39 H45 Fe N O Si
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[c]51/C=N/c1c(C(C)C)cccc1C(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• 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: 9.144 ± 0.001 Å
• b: 11.841 ± 0.001 Å
• c: 16.838 ± 0.001 Å
• α: 90°
• β: 103.2 ± 0.01°
• γ: 90°
• Cell volume: 1775 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No