Information card for entry 1506767

Structure parameters

• Formula: C34 H40 Fe2 N2 O4
• Calculated formula: C34 H38 Fe2 N2 O4
• SMILES: [Fe]12345678([c]9([c]4([cH]3[cH]2[cH]19)[C@@H](O)[C@H](O)[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[c]29C1=N[C@H](CO1)C(C)C)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)C1=N[C@@H](C(C)C)CO1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.
• Authors of publication: Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 5809 - 5812
• a: 12.647 ± 0.003 Å
• b: 11.666 ± 0.003 Å
• c: 20.496 ± 0.005 Å
• α: 90°
• β: 95.638 ± 0.004°
• γ: 90°
• Cell volume: 3009.3 ± 1.3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No