Information card for entry 7001251

Structure parameters

• Formula: C30 H34 Fe O3 Si
• Calculated formula: C30 H34 Fe O3 Si
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[c]19C1OCCCO1)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: 7.465 ± 0.001 Å
• b: 12.947 ± 0.001 Å
• c: 14.191 ± 0.001 Å
• α: 102.67 ± 0.01°
• β: 92.54 ± 0.01°
• γ: 95.95 ± 0.01°
• Cell volume: 1327.8 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No