Information card for entry 7001252

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](C(C)(C)C)(c1ccccc1)c1ccccc1)[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: 9.377 ± 0.001 Å
• b: 10.308 ± 0.001 Å
• c: 12.984 ± 0.001 Å
• α: 91.75 ± 0.01°
• β: 103.04 ± 0.01°
• γ: 106.67 ± 0.01°
• Cell volume: 1165.1 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No