Information card for entry 7001253

Structure parameters

• Formula: C14 H15 Fe I O2
• Calculated formula: C14 H15 Fe I O2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19I)C1OCCCO1)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 7.938 ± 0.001 Å
• b: 9.716 ± 0.001 Å
• c: 17.68 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1363.6 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0215
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No